4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide

C21H30N6O2 — CID 169419451

IUPAC4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide
SMILESCc1cc(N)n(CC(=O)NC2CCC(C(=O)N(C)C(C)c3cccnc3)CC2)n1
InChIInChI=1S/C21H30N6O2/c1-14-11-19(22)27(25-14)13-20(28)24-18-8-6-16(7-9-18)21(29)26(3)15(2)17-5-4-10-23-12-17/h4-5,10-12,15-16,18H,6-9,13,22H2,1-3H3,(H,24,28)
InChIKeyJSMLICJCUDCCRN-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.06
Rot. Bonds6

About 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide

4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide (PubChem CID 169419451) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide
PubChem CID169419451
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide
SMILESCc1cc(N)n(CC(=O)NC2CCC(C(=O)N(C)C(C)c3cccnc3)CC2)n1
InChIInChI=1S/C21H30N6O2/c1-14-11-19(22)27(25-14)13-20(28)24-18-8-6-16(7-9-18)21(29)26(3)15(2)17-5-4-10-23-12-17/h4-5,10-12,15-16,18H,6-9,13,22H2,1-3H3,(H,24,28)
InChIKeyJSMLICJCUDCCRN-UHFFFAOYSA-N
XLogP2.06
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide
CID 175640635
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122
1-methyl-3-(1-prop-2-enylpiperidin-4-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95614231
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91794568
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 91780001
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45246796
2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide
CID 114233493
(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
CID 97284989
ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 110753942

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide (CID 169419451) is 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide is Cc1cc(N)n(CC(=O)NC2CCC(C(=O)N(C)C(C)c3cccnc3)CC2)n1.
What is the InChIKey of 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is JSMLICJCUDCCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-14-11-19(22)27(25-14)13-20(28)24-18-8-6-16(7-9-18)21(29)26(3)15(2)17-5-4-10-23-12-17/h4-5,10-12,15-16,18H,6-9,13,22H2,1-3H3,(H,24,28).
What are the key properties of 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 169419451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).