1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C21H23N5O — CID 97443243

IUPAC1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1
InChIInChI=1S/C21H23N5O/c1-2-7-23-21(27)19-9-17(14-26(19)13-15-5-6-15)18-11-24-20(25-12-18)16-4-3-8-22-10-16/h3-4,8-12,14-15H,2,5-7,13H2,1H3,(H,23,27)
InChIKeyRCXYJYWGTLXSPE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.56
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide

1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97443243) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97443243
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1
InChIInChI=1S/C21H23N5O/c1-2-7-23-21(27)19-9-17(14-26(19)13-15-5-6-15)18-11-24-20(25-12-18)16-4-3-8-22-10-16/h3-4,8-12,14-15H,2,5-7,13H2,1H3,(H,23,27)
InChIKeyRCXYJYWGTLXSPE-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443245
1-(cyclopropylmethyl)-N-[3-(diethylamino)propyl]-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155847582
1-(cyclopropylmethyl)-N-(2-pyridin-3-ylethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155857062
1-(cyclopropylmethyl)-N-(6-methyl-3-pyridinyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97385255
1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97443219
N-cyclopentyl-1-(cyclopropylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857425
1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155843488
1-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824722
1-(cyclopropylmethyl)-N-pyridin-3-yl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361693
[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134075406
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862316

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97443243) is 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide is CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is RCXYJYWGTLXSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-7-23-21(27)19-9-17(14-26(19)13-15-5-6-15)18-11-24-20(25-12-18)16-4-3-8-22-10-16/h3-4,8-12,14-15H,2,5-7,13H2,1H3,(H,23,27).
What are the key properties of 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97443243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).