3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide

C15H22N4O3 — CID 75433271

IUPAC3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide
SMILESCc1nc(NC(CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O3/c1-10-13(19(21)22)7-8-15(17-10)18-12(9-14(16)20)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyYHZPSCYQBGXFEV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.53
Rot. Bonds6

About 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide

3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide (PubChem CID 75433271) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide
PubChem CID75433271
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide
SMILESCc1nc(NC(CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O3/c1-10-13(19(21)22)7-8-15(17-10)18-12(9-14(16)20)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyYHZPSCYQBGXFEV-UHFFFAOYSA-N
XLogP2.53
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide
CID 75433273
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide (CID 75433271) is 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide is Cc1nc(NC(CC(N)=O)C2CCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is YHZPSCYQBGXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-13(19(21)22)7-8-15(17-10)18-12(9-14(16)20)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide?
3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 306.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 75433271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).