(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide

C20H23N5O — CID 154801731

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc2cc(CN3C[C@H](C(N)=O)[C@@H](c4cnn(C)c4)C3)ccc2n1
InChIInChI=1S/C20H23N5O/c1-13-3-5-15-7-14(4-6-19(15)23-13)9-25-11-17(18(12-25)20(21)26)16-8-22-24(2)10-16/h3-8,10,17-18H,9,11-12H2,1-2H3,(H2,21,26)/t17-,18+/m1/s1
InChIKeyCBGMQBCKAQWVMV-MSOLQXFVSA-N
MW349.44 g/mol
LogP1.98
Rot. Bonds4

About (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide

(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 154801731) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID154801731
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc2cc(CN3C[C@H](C(N)=O)[C@@H](c4cnn(C)c4)C3)ccc2n1
InChIInChI=1S/C20H23N5O/c1-13-3-5-15-7-14(4-6-19(15)23-13)9-25-11-17(18(12-25)20(21)26)16-8-22-24(2)10-16/h3-8,10,17-18H,9,11-12H2,1-2H3,(H2,21,26)/t17-,18+/m1/s1
InChIKeyCBGMQBCKAQWVMV-MSOLQXFVSA-N
XLogP1.98
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 167885486
(3R,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 166238281
(3R,4S)-1-(1H-indazol-6-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120949915
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
(3S,4R)-1-[(2-methylquinolin-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846809
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685
(3R,4S)-1-but-2-ynyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120963523
(3R,4S)-1-(1,3-benzodioxol-4-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 154796944
(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 120963535
5-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122125208
[(3R,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamic acid
CID 146401949
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide (CID 154801731) is (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide is Cc1ccc2cc(CN3C[C@H](C(N)=O)[C@@H](c4cnn(C)c4)C3)ccc2n1.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CBGMQBCKAQWVMV-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-3-5-15-7-14(4-6-19(15)23-13)9-25-11-17(18(12-25)20(21)26)16-8-22-24(2)10-16/h3-8,10,17-18H,9,11-12H2,1-2H3,(H2,21,26)/t17-,18+/m1/s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide?
(3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-1-[(2-methylquinolin-6-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154801731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).