2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C27H30N6O2 — CID 142325318

IUPAC2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc(C5=CCCCC5)cc4)C3)c2)cn1
InChIInChI=1S/C27H30N6O2/c1-32-16-22(15-30-32)21-13-24(25(28)29-14-21)26(34)31-23-11-12-33(17-23)27(35)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h5,7-10,13-16,23H,2-4,6,11-12,17H2,1H3,(H2,28,29)(H,31,34)/t23-/m1/s1
InChIKeyHMFKSYDBHHXHAA-HSZRJFAPSA-N
MW470.58 g/mol
LogP3.67
Rot. Bonds5

About 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 142325318) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID142325318
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc(C5=CCCCC5)cc4)C3)c2)cn1
InChIInChI=1S/C27H30N6O2/c1-32-16-22(15-30-32)21-13-24(25(28)29-14-21)26(34)31-23-11-12-33(17-23)27(35)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h5,7-10,13-16,23H,2-4,6,11-12,17H2,1H3,(H2,28,29)(H,31,34)/t23-/m1/s1
InChIKeyHMFKSYDBHHXHAA-HSZRJFAPSA-N
XLogP3.67
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(3R)-1-[4-[4-(4-aminophenoxy)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325547
2-amino-N-[(3R)-1-[4-[4-(4-methylpiperazin-1-yl)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 139580481
2-amino-N-[(3R)-1-[4-(4-fluoro-3-methylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325928
2-amino-N-[(3R)-1-[4-(2,4-difluorophenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 139580522
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-(4-pyridin-4-yloxyphenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325717
2-amino-N-[(3R)-1-[4-(4-methoxy-3,5-dimethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326073
2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325398
2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325798
N-[1-[4-(5-acetylthiophen-2-yl)benzoyl]pyrrolidin-3-yl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 153439132
2-amino-N-[(3R)-1-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325538
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-(2-phenoxyphenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142326316
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[4-[(E)-2-phenylprop-1-enyl]benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142326158

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 142325318) is 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc(C5=CCCCC5)cc4)C3)c2)cn1.
What is the InChIKey of 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is HMFKSYDBHHXHAA-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-32-16-22(15-30-32)21-13-24(25(28)29-14-21)26(34)31-23-11-12-33(17-23)27(35)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h5,7-10,13-16,23H,2-4,6,11-12,17H2,1H3,(H2,28,29)(H,31,34)/t23-/m1/s1.
What are the key properties of 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R)-1-[4-(cyclohexen-1-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 142325318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).