(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide

C19H20Cl2N4O2 — CID 52532720

IUPAC(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C19H20Cl2N4O2/c1-24(2)15-5-6-17(22-11-15)23-18(26)16-4-3-7-25(16)19(27)12-8-13(20)10-14(21)9-12/h5-6,8-11,16H,3-4,7H2,1-2H3,(H,22,23,26)/t16-/m1/s1
InChIKeyBVDCZBPEDXQWEL-MRXNPFEDSA-N
MW407.30 g/mol
LogP3.70
Rot. Bonds4

About (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide

(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 52532720) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID52532720
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C19H20Cl2N4O2/c1-24(2)15-5-6-17(22-11-15)23-18(26)16-4-3-7-25(16)19(27)12-8-13(20)10-14(21)9-12/h5-6,8-11,16H,3-4,7H2,1-2H3,(H,22,23,26)/t16-/m1/s1
InChIKeyBVDCZBPEDXQWEL-MRXNPFEDSA-N
XLogP3.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[5-(dimethylamino)-2-pyridinyl]piperidine-2-carboxamide
CID 167862943
N-[5-(dimethylamino)-2-pyridinyl]-1-(oxolane-2-carbonyl)piperidine-2-carboxamide
CID 71878322
(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 35702321
1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55637087
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
1-(3,5-dichlorobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 42757512
N-[5-(dimethylamino)-2-pyridinyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60600192
1-(3,4-dichlorobenzoyl)-N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 3464780
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
1-(3,5-dichlorobenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-2-carboxamide
CID 55607785
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 52532720) is (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide is CN(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is BVDCZBPEDXQWEL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-24(2)15-5-6-17(22-11-15)23-18(26)16-4-3-7-25(16)19(27)12-8-13(20)10-14(21)9-12/h5-6,8-11,16H,3-4,7H2,1-2H3,(H,22,23,26)/t16-/m1/s1.
What are the key properties of (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide?
(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 52532720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).