5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide

C12H12ClN5O — CID 71914219

IUPAC5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide
SMILESCN(C)c1ncncc1NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN5O/c1-18(2)11-10(6-14-7-16-11)17-12(19)9-4-3-8(13)5-15-9/h3-7H,1-2H3,(H,17,19)
InChIKeyUIZFTBYPPYJMQA-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.84
Rot. Bonds3

About 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide

5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide (PubChem CID 71914219) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide
PubChem CID71914219
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide
SMILESCN(C)c1ncncc1NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN5O/c1-18(2)11-10(6-14-7-16-11)17-12(19)9-4-3-8(13)5-15-9/h3-7H,1-2H3,(H,17,19)
InChIKeyUIZFTBYPPYJMQA-UHFFFAOYSA-N
XLogP1.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide
CID 122142561
1-(4-chloro-2-fluorophenyl)-N-[4-(dimethylamino)pyrimidin-5-yl]-5-methyltriazole-4-carboxamide
CID 99695383
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
CID 103144520
5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
CID 113271900
methyl 5-chloropyridine-2-carboxylate
CID 11298216
(5-bromopyrimidin-4-yl)-(5-chloro-2-pyridinyl)methanone
CID 70514919
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
1-[(4-cyanophenyl)methyl]-3-[4-(dimethylamino)pyrimidin-5-yl]-1-methylurea
CID 86787104
N-[4-(dimethylamino)pyrimidin-5-yl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96537850
methyl 4-[(5-chloropyridine-2-carbonyl)amino]-3-fluorobenzoate
CID 122140941
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide (CID 71914219) is 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide is CN(C)c1ncncc1NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide?
The InChIKey is UIZFTBYPPYJMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-18(2)11-10(6-14-7-16-11)17-12(19)9-4-3-8(13)5-15-9/h3-7H,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide?
5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(dimethylamino)pyrimidin-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71914219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).