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

C29H30N6O2 — CID 142325798

IUPAC2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCc1cccc(-c2ccc(C(=O)N3CC[C@@H](NC(=O)c4cc(-c5cnn(C)c5)cnc4N)C3)cc2)c1
InChIInChI=1S/C29H30N6O2/c1-3-19-5-4-6-22(13-19)20-7-9-21(10-8-20)29(37)35-12-11-25(18-35)33-28(36)26-14-23(15-31-27(26)30)24-16-32-34(2)17-24/h4-10,13-17,25H,3,11-12,18H2,1-2H3,(H2,30,31)(H,33,36)/t25-/m1/s1
InChIKeyOMXKFUPYUCDENB-RUZDIDTESA-N
MW494.60 g/mol
LogP3.94
Rot. Bonds6

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

2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 142325798) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID142325798
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCCc1cccc(-c2ccc(C(=O)N3CC[C@@H](NC(=O)c4cc(-c5cnn(C)c5)cnc4N)C3)cc2)c1
InChIInChI=1S/C29H30N6O2/c1-3-19-5-4-6-22(13-19)20-7-9-21(10-8-20)29(37)35-12-11-25(18-35)33-28(36)26-14-23(15-31-27(26)30)24-16-32-34(2)17-24/h4-10,13-17,25H,3,11-12,18H2,1-2H3,(H2,30,31)(H,33,36)/t25-/m1/s1
InChIKeyOMXKFUPYUCDENB-RUZDIDTESA-N
XLogP3.94
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[3-[3-(pyrazol-1-ylmethyl)phenyl]benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142326131
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-[4-(4-aminophenoxy)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325547
2-amino-N-[(3R)-1-[[4-[3-(aminomethyl)phenyl]phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326117
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-[1-[3-[3-(imidazol-1-ylmethyl)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 153439168
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-[[3-[4-(aminomethyl)phenyl]phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325445
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 142325798) is 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CCc1cccc(-c2ccc(C(=O)N3CC[C@@H](NC(=O)c4cc(-c5cnn(C)c5)cnc4N)C3)cc2)c1.
What is the InChIKey of 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is OMXKFUPYUCDENB-RUZDIDTESA-N. The full InChI is InChI=1S/C29H30N6O2/c1-3-19-5-4-6-22(13-19)20-7-9-21(10-8-20)29(37)35-12-11-25(18-35)33-28(36)26-14-23(15-31-27(26)30)24-16-32-34(2)17-24/h4-10,13-17,25H,3,11-12,18H2,1-2H3,(H2,30,31)(H,33,36)/t25-/m1/s1.
What are the key properties of 2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(3R)-1-[4-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 3.94, 6 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-(3-ethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 142325798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).