2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide

C14H12N4O — CID 110695111

IUPAC2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)Nc3ncccn3)ccc2[nH]1
InChIInChI=1S/C14H12N4O/c1-9-7-11-8-10(3-4-12(11)17-9)13(19)18-14-15-5-2-6-16-14/h2-8,17H,1H3,(H,15,16,18,19)
InChIKeyYCCGOPFDKNBWQJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.52
Rot. Bonds2

About 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide

2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide (PubChem CID 110695111) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
PubChem CID110695111
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
SMILESCc1cc2cc(C(=O)Nc3ncccn3)ccc2[nH]1
InChIInChI=1S/C14H12N4O/c1-9-7-11-8-10(3-4-12(11)17-9)13(19)18-14-15-5-2-6-16-14/h2-8,17H,1H3,(H,15,16,18,19)
InChIKeyYCCGOPFDKNBWQJ-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-methyl-1H-indole-5-carboxamide
CID 129309500
2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
CID 110766430
N-(3-cyanophenyl)-2-methyl-1H-indole-5-carboxamide
CID 110695121
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085227
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
CID 67835168
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide?
The IUPAC name of 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide (CID 110695111) is 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide?
The canonical SMILES for 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide is Cc1cc2cc(C(=O)Nc3ncccn3)ccc2[nH]1.
What is the InChIKey of 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide?
The InChIKey is YCCGOPFDKNBWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-7-11-8-10(3-4-12(11)17-9)13(19)18-14-15-5-2-6-16-14/h2-8,17H,1H3,(H,15,16,18,19).
What are the key properties of 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide?
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 110695111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).