4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide

C18H14N6O — CID 59199969

IUPAC4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)Nn1ccc2ncccc21
InChIInChI=1S/C18H14N6O/c1-12-14(11-21-17(22-12)13-4-2-7-19-10-13)18(25)23-24-9-6-15-16(24)5-3-8-20-15/h2-11H,1H3,(H,23,25)
InChIKeyIQFKLSDKMYHDGZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.58
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide

4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide (PubChem CID 59199969) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
PubChem CID59199969
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)Nn1ccc2ncccc21
InChIInChI=1S/C18H14N6O/c1-12-14(11-21-17(22-12)13-4-2-7-19-10-13)18(25)23-24-9-6-15-16(24)5-3-8-20-15/h2-11H,1H3,(H,23,25)
InChIKeyIQFKLSDKMYHDGZ-UHFFFAOYSA-N
XLogP2.58
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 70788637
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74238214
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131910795
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
N-[(1R,2R,4S)-2-hydroxy-4-(2-hydroxyethylcarbamoyl)cyclopentyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 163304674
5-(1-chloroethyl)-4-methyl-2-pyridin-3-ylpyrimidine
CID 62771047
(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 74237399

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide (CID 59199969) is 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)Nn1ccc2ncccc21.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
The InChIKey is IQFKLSDKMYHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-12-14(11-21-17(22-12)13-4-2-7-19-10-13)18(25)23-24-9-6-15-16(24)5-3-8-20-15/h2-11H,1H3,(H,23,25).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59199969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).