N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

C24H30N6O4 — CID 23964060

IUPACN-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESNC1CCCCC1NC(=O)C1Cc2ncn(Cc3ccc([N+](=O)[O-])cc3)c2CN1C(=O)C1CC1
InChIInChI=1S/C24H30N6O4/c25-18-3-1-2-4-19(18)27-23(31)21-11-20-22(13-29(21)24(32)16-7-8-16)28(14-26-20)12-15-5-9-17(10-6-15)30(33)34/h5-6,9-10,14,16,18-19,21H,1-4,7-8,11-13,25H2,(H,27,31)
InChIKeyXGKQIGVLQCCBRO-UHFFFAOYSA-N
MW466.54 g/mol
LogP1.89
Rot. Bonds6

About N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 23964060) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID23964060
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESNC1CCCCC1NC(=O)C1Cc2ncn(Cc3ccc([N+](=O)[O-])cc3)c2CN1C(=O)C1CC1
InChIInChI=1S/C24H30N6O4/c25-18-3-1-2-4-19(18)27-23(31)21-11-20-22(13-29(21)24(32)16-7-8-16)28(14-26-20)12-15-5-9-17(10-6-15)30(33)34/h5-6,9-10,14,16,18-19,21H,1-4,7-8,11-13,25H2,(H,27,31)
InChIKeyXGKQIGVLQCCBRO-UHFFFAOYSA-N
XLogP1.89
TPSA136.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.89
H-Bond Donors ≤ 52
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-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
CID 23880144
N-[2-[5-[(4-nitrophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide
CID 42391678
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
7-[(4-nitrophenyl)methyl]purin-6-amine
CID 12814942
2-cyclopentyl-N-[2-[5-[(4-nitrophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391683
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42857574
(2R)-N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]piperidine-2-carboxamide
CID 23823300
methyl (6R)-5-benzoyl-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162959512
(6S)-5-[2,2-bis(4-nitrophenyl)acetyl]-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403552

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (CID 23964060) is N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is NC1CCCCC1NC(=O)C1Cc2ncn(Cc3ccc([N+](=O)[O-])cc3)c2CN1C(=O)C1CC1.
What is the InChIKey of N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is XGKQIGVLQCCBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c25-18-3-1-2-4-19(18)27-23(31)21-11-20-22(13-29(21)24(32)16-7-8-16)28(14-26-20)12-15-5-9-17(10-6-15)30(33)34/h5-6,9-10,14,16,18-19,21H,1-4,7-8,11-13,25H2,(H,27,31).
What are the key properties of N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-5-(cyclopropanecarbonyl)-3-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 23964060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).