1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide

C24H26ClN5O2 — CID 71620822

IUPAC1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide
SMILESCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(CN4CCCC4)ccc3Cl)c2)c(C)cn1
InChIInChI=1S/C24H26ClN5O2/c1-15-11-27-23(28-16(2)31)10-22(15)30-13-19(20(14-30)24(26)32)18-9-17(5-6-21(18)25)12-29-7-3-4-8-29/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H2,26,32)(H,27,28,31)
InChIKeyQFYDMTVUROFYDI-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.15
Rot. Bonds6

About 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide

1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 71620822) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide
PubChem CID71620822
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide
SMILESCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(CN4CCCC4)ccc3Cl)c2)c(C)cn1
InChIInChI=1S/C24H26ClN5O2/c1-15-11-27-23(28-16(2)31)10-22(15)30-13-19(20(14-30)24(26)32)18-9-17(5-6-21(18)25)12-29-7-3-4-8-29/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H2,26,32)(H,27,28,31)
InChIKeyQFYDMTVUROFYDI-UHFFFAOYSA-N
XLogP4.15
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 67776306
N-[4-[3-[2-chloro-5-[(dimethylamino)methyl]phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide
CID 71622191
4-[(3-carbamoyl-4-chlorophenyl)methyl]piperazine-1-carboxylic acid
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N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
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6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
CID 136545594
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
1-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 163391622
2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 2197171
2-[4-methyl-3-[(4-pyridin-3-ylpyrazol-1-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 87795826
1-[4-[(6-hydrazinyl-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62246277
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide (CID 71620822) is 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide is CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(CN4CCCC4)ccc3Cl)c2)c(C)cn1.
What is the InChIKey of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is QFYDMTVUROFYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-15-11-27-23(28-16(2)31)10-22(15)30-13-19(20(14-30)24(26)32)18-9-17(5-6-21(18)25)12-29-7-3-4-8-29/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H2,26,32)(H,27,28,31).
What are the key properties of 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide?
1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 71620822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).