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

C22H22N8O2 — CID 142325598

IUPAC2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)Nc4ccc(C#N)cc4)C3)c2)cn1
InChIInChI=1S/C22H22N8O2/c1-29-12-16(11-26-29)15-8-19(20(24)25-10-15)21(31)27-18-6-7-30(13-18)22(32)28-17-4-2-14(9-23)3-5-17/h2-5,8,10-12,18H,6-7,13H2,1H3,(H2,24,25)(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyXBLHYRZYTKUSRG-GOSISDBHSA-N
MW430.47 g/mol
LogP1.97
Rot. Bonds4

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

2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 142325598) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID142325598
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)Nc4ccc(C#N)cc4)C3)c2)cn1
InChIInChI=1S/C22H22N8O2/c1-29-12-16(11-26-29)15-8-19(20(24)25-10-15)21(31)27-18-6-7-30(13-18)22(32)28-17-4-2-14(9-23)3-5-17/h2-5,8,10-12,18H,6-7,13H2,1H3,(H2,24,25)(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyXBLHYRZYTKUSRG-GOSISDBHSA-N
XLogP1.97
TPSA141.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(3R)-1-[(3-fluorophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326172
2-amino-5-(1-methylpyrazol-4-yl)-N-[1-[(3-phenylphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 153439205
2-amino-N-[(3R)-1-[[3-(4-aminophenyl)phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325437
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-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 142325442
2-amino-N-[(3R)-1-[[3-[4-(aminomethyl)phenyl]phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325445
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 153439201
2-amino-N-[(3R)-1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326150
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-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142325398
(3-bromophenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325421

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 142325598) is 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)Nc4ccc(C#N)cc4)C3)c2)cn1.
What is the InChIKey of 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is XBLHYRZYTKUSRG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-29-12-16(11-26-29)15-8-19(20(24)25-10-15)21(31)27-18-6-7-30(13-18)22(32)28-17-4-2-14(9-23)3-5-17/h2-5,8,10-12,18H,6-7,13H2,1H3,(H2,24,25)(H,27,31)(H,28,32)/t18-/m1/s1.
What are the key properties of 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R)-1-[(4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 142325598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).