N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine

C72H66FN17O4 — CID 173320024

IUPACN-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine
SMILESCCCN(c1ccncc1)n1cc(C)c2ccccc21.CN(c1ccncc1)n1ccc2cc([N+](=O)[O-])ccc21.Cc1cn(Nc2ccncc2)c2ccccc12.Cc1cn(Nc2ccncc2F)c2ccccc12.O=[N+]([O-])c1ccc2c(ccn2Nc2ccncc2)c1
InChIInChI=1S/C17H19N3.C14H12FN3.C14H12N4O2.C14H13N3.C13H10N4O2/c1-3-12-19(15-8-10-18-11-9-15)20-13-14(2)16-6-4-5-7-17(16)20;1-10-9-18(14-5-3-2-4-11(10)14)17-13-6-7-16-8-12(13)15;1-16(12-4-7-15-8-5-12)17-9-6-11-10-13(18(19)20)2-3-14(11)17;1-11-10-17(14-5-3-2-4-13(11)14)16-12-6-8-15-9-7-12;18-17(19)12-1-2-13-10(9-12)5-8-16(13)15-11-3-6-14-7-4-11/h4-11,13H,3,12H2,1-2H3;2-9H,1H3,(H,16,17);2-10H,1H3;2-10H,1H3,(H,15,16);1-9H,(H,14,15)
InChIKeyNOPKDMZTLMMDLW-UHFFFAOYSA-N
MW1252.43 g/mol
LogP16.27
Rot. Bonds14

About N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine

N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine (PubChem CID 173320024) has the molecular formula C72H66FN17O4 and a molecular weight of 1252.43 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine
PubChem CID173320024
Molecular FormulaC72H66FN17O4
Molecular Weight1252.43 g/mol
Exact Mass1251.55
IUPAC NameN-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine
SMILESCCCN(c1ccncc1)n1cc(C)c2ccccc21.CN(c1ccncc1)n1ccc2cc([N+](=O)[O-])ccc21.Cc1cn(Nc2ccncc2)c2ccccc12.Cc1cn(Nc2ccncc2F)c2ccccc12.O=[N+]([O-])c1ccc2c(ccn2Nc2ccncc2)c1
InChIInChI=1S/C17H19N3.C14H12FN3.C14H12N4O2.C14H13N3.C13H10N4O2/c1-3-12-19(15-8-10-18-11-9-15)20-13-14(2)16-6-4-5-7-17(16)20;1-10-9-18(14-5-3-2-4-11(10)14)17-13-6-7-16-8-12(13)15;1-16(12-4-7-15-8-5-12)17-9-6-11-10-13(18(19)20)2-3-14(11)17;1-11-10-17(14-5-3-2-4-13(11)14)16-12-6-8-15-9-7-12;18-17(19)12-1-2-13-10(9-12)5-8-16(13)15-11-3-6-14-7-4-11/h4-11,13H,3,12H2,1-2H3;2-9H,1H3,(H,16,17);2-10H,1H3;2-10H,1H3,(H,15,16);1-9H,(H,14,15)
InChIKeyNOPKDMZTLMMDLW-UHFFFAOYSA-N
XLogP16.27
TPSA217.95 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001252.43
LogP ≤ 516.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine (CID 173320024) is N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine is CCCN(c1ccncc1)n1cc(C)c2ccccc21.CN(c1ccncc1)n1ccc2cc([N+](=O)[O-])ccc21.Cc1cn(Nc2ccncc2)c2ccccc12.Cc1cn(Nc2ccncc2F)c2ccccc12.O=[N+]([O-])c1ccc2c(ccn2Nc2ccncc2)c1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine?
The InChIKey is NOPKDMZTLMMDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.C14H12FN3.C14H12N4O2.C14H13N3.C13H10N4O2/c1-3-12-19(15-8-10-18-11-9-15)20-13-14(2)16-6-4-5-7-17(16)20;1-10-9-18(14-5-3-2-4-11(10)14)17-13-6-7-16-8-12(13)15;1-16(12-4-7-15-8-5-12)17-9-6-11-10-13(18(19)20)2-3-14(11)17;1-11-10-17(14-5-3-2-4-13(11)14)16-12-6-8-15-9-7-12;18-17(19)12-1-2-13-10(9-12)5-8-16(13)15-11-3-6-14-7-4-11/h4-11,13H,3,12H2,1-2H3;2-9H,1H3,(H,16,17);2-10H,1H3;2-10H,1H3,(H,15,16);1-9H,(H,14,15).
What are the key properties of N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine?
N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine has a molecular weight of 1252.43 g/mol, XLogP of 16.27, 14 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine;N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine;3-methyl-N-pyridin-4-ylindol-1-amine;5-nitro-N-pyridin-4-ylindol-1-amine is sourced from PubChem (CID 173320024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).