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

C24H22N6O — CID 97443245

IUPAC1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1
InChIInChI=1S/C24H22N6O/c31-24(29-14-21-5-1-2-9-26-21)22-10-19(16-30(22)15-17-6-7-17)20-12-27-23(28-13-20)18-4-3-8-25-11-18/h1-5,8-13,16-17H,6-7,14-15H2,(H,29,31)
InChIKeyPSPLEYVDMDCPNG-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.74
Rot. Bonds7

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

1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97443245) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97443245
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1
InChIInChI=1S/C24H22N6O/c31-24(29-14-21-5-1-2-9-26-21)22-10-19(16-30(22)15-17-6-7-17)20-12-27-23(28-13-20)18-4-3-8-25-11-18/h1-5,8-13,16-17H,6-7,14-15H2,(H,29,31)
InChIKeyPSPLEYVDMDCPNG-UHFFFAOYSA-N
XLogP3.74
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97443219
1-(cyclopropylmethyl)-N-propyl-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443243
1-(cyclopropylmethyl)-N-(6-methyl-3-pyridinyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97385255
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
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-(diethylamino)propyl]-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155847582
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)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 97443238
1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 71840976
[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134075406

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97443245) is 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide is O=C(NCc1ccccn1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is PSPLEYVDMDCPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c31-24(29-14-21-5-1-2-9-26-21)22-10-19(16-30(22)15-17-6-7-17)20-12-27-23(28-13-20)18-4-3-8-25-11-18/h1-5,8-13,16-17H,6-7,14-15H2,(H,29,31).
What are the key properties of 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97443245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).