[4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone

C23H27N5O4 — CID 10670614

IUPAC[4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone
SMILESCC(C)Oc1cccnc1N(C)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1
InChIInChI=1S/C23H27N5O4/c1-15(2)32-21-5-4-10-24-22(21)26(3)17-8-11-27(12-9-17)23(29)20-14-16-13-18(28(30)31)6-7-19(16)25-20/h4-7,10,13-15,17,25H,8-9,11-12H2,1-3H3
InChIKeySLNWTMXLZYQDTN-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.00
Rot. Bonds6

About [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone

[4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone (PubChem CID 10670614) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone
PubChem CID10670614
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name[4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone
SMILESCC(C)Oc1cccnc1N(C)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1
InChIInChI=1S/C23H27N5O4/c1-15(2)32-21-5-4-10-24-22(21)26(3)17-8-11-27(12-9-17)23(29)20-14-16-13-18(28(30)31)6-7-19(16)25-20/h4-7,10,13-15,17,25H,8-9,11-12H2,1-3H3
InChIKeySLNWTMXLZYQDTN-UHFFFAOYSA-N
XLogP4.00
TPSA104.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

(6-nitro-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 67693961
(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 10549335
1H-indol-2-yl-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 174696608
1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349625
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
CID 68680623
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 94089260
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 68683143
N-[1-[(4-bromophenyl)carbamoyl]piperidin-4-yl]-5-nitro-1H-indole-2-carboxamide
CID 155968894
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
[2-(azepan-1-yl)-2-oxoethyl] 5-nitro-1H-indole-2-carboxylate
CID 71891254
tert-butyl (3S)-3-[methyl-(3-nitro-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646778
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone?
The IUPAC name of [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone (CID 10670614) is [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone is CC(C)Oc1cccnc1N(C)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1.
What is the InChIKey of [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone?
The InChIKey is SLNWTMXLZYQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15(2)32-21-5-4-10-24-22(21)26(3)17-8-11-27(12-9-17)23(29)20-14-16-13-18(28(30)31)6-7-19(16)25-20/h4-7,10,13-15,17,25H,8-9,11-12H2,1-3H3.
What are the key properties of [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone?
[4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone has a molecular weight of 437.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone is sourced from PubChem (CID 10670614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).