1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C22H25N5O — CID 97407332

IUPAC1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H25N5O/c1-26-16-18(19-14-24-22(25-15-19)27-11-5-6-12-27)13-20(26)21(28)23-10-9-17-7-3-2-4-8-17/h2-4,7-8,13-16H,5-6,9-12H2,1H3,(H,23,28)
InChIKeyVWPYFKLYHMTDJS-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.05
Rot. Bonds6

About 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide

1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97407332) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97407332
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H25N5O/c1-26-16-18(19-14-24-22(25-15-19)27-11-5-6-12-27)13-20(26)21(28)23-10-9-17-7-3-2-4-8-17/h2-4,7-8,13-16H,5-6,9-12H2,1H3,(H,23,28)
InChIKeyVWPYFKLYHMTDJS-UHFFFAOYSA-N
XLogP3.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide
CID 97443112
1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862316
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443096
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250135
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531
4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 54943729

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97407332) is 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide is Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is VWPYFKLYHMTDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-16-18(19-14-24-22(25-15-19)27-11-5-6-12-27)13-20(26)21(28)23-10-9-17-7-3-2-4-8-17/h2-4,7-8,13-16H,5-6,9-12H2,1H3,(H,23,28).
What are the key properties of 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97407332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).