N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide

C21H30N6O — CID 72881408

IUPACN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)ccn1
InChIInChI=1S/C21H30N6O/c1-22-20-12-16(8-9-23-20)21(28)24-14-17-13-19-15-26(10-5-11-27(19)25-17)18-6-3-2-4-7-18/h8-9,12-13,18H,2-7,10-11,14-15H2,1H3,(H,22,23)(H,24,28)
InChIKeyAUJISBZCQQZXHX-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.79
Rot. Bonds5

About N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 72881408) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID72881408
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)ccn1
InChIInChI=1S/C21H30N6O/c1-22-20-12-16(8-9-23-20)21(28)24-14-17-13-19-15-26(10-5-11-27(19)25-17)18-6-3-2-4-7-18/h8-9,12-13,18H,2-7,10-11,14-15H2,1H3,(H,22,23)(H,24,28)
InChIKeyAUJISBZCQQZXHX-UHFFFAOYSA-N
XLogP2.79
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide
CID 70742620
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide
CID 70785676
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 86283274
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 70715178
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 72893865
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 72925184
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-phenoxyacetamide
CID 72861549
3-amino-N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide;dihydrochloride
CID 154895873
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyridine-3-carboxamide
CID 70725047
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 72914415
(2S)-2-amino-N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 154898545
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 79071043

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide (CID 72881408) is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)ccn1.
What is the InChIKey of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is AUJISBZCQQZXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-22-20-12-16(8-9-23-20)21(28)24-14-17-13-19-15-26(10-5-11-27(19)25-17)18-6-3-2-4-7-18/h8-9,12-13,18H,2-7,10-11,14-15H2,1H3,(H,22,23)(H,24,28).
What are the key properties of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 72881408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).