4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine

C15H19N5O3 — CID 154763477

IUPAC4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
SMILESCc1ccnc(NC2CCOC(c3cnn(C)c3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O3/c1-10-3-5-16-15(14(10)20(21)22)18-12-4-6-23-13(7-12)11-8-17-19(2)9-11/h3,5,8-9,12-13H,4,6-7H2,1-2H3,(H,16,18)
InChIKeyCYJUBCNDASDBNS-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.36
Rot. Bonds4

About 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine

4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine (PubChem CID 154763477) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
PubChem CID154763477
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
SMILESCc1ccnc(NC2CCOC(c3cnn(C)c3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O3/c1-10-3-5-16-15(14(10)20(21)22)18-12-4-6-23-13(7-12)11-8-17-19(2)9-11/h3,5,8-9,12-13H,4,6-7H2,1-2H3,(H,16,18)
InChIKeyCYJUBCNDASDBNS-UHFFFAOYSA-N
XLogP2.36
TPSA95.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 126823574
N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
CID 103704813
4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine
CID 154763446
6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine
CID 167967292
2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide
CID 125419795
N,N-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 133306766
2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide
CID 146094430
3-nitro-2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-4-carbonitrile
CID 133441647
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
N-(4-methyl-2-nitrophenyl)-2-phenyloxan-4-amine
CID 133473991
4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
CID 79778692

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine (CID 154763477) is 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine is Cc1ccnc(NC2CCOC(c3cnn(C)c3)C2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine?
The InChIKey is CYJUBCNDASDBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-3-5-16-15(14(10)20(21)22)18-12-4-6-23-13(7-12)11-8-17-19(2)9-11/h3,5,8-9,12-13H,4,6-7H2,1-2H3,(H,16,18).
What are the key properties of 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine?
4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 154763477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).