5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide

C12H12ClN5O — CID 47059518

IUPAC5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
SMILESCc1nccc(CNc2ncc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C12H12ClN5O/c1-7-15-3-2-9(18-7)6-17-12-10(13)4-8(5-16-12)11(14)19/h2-5H,6H2,1H3,(H2,14,19)(H,16,17)
InChIKeyZNCDRTNNTRJQCH-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.54
Rot. Bonds4

About 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide

5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide (PubChem CID 47059518) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
PubChem CID47059518
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
SMILESCc1nccc(CNc2ncc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C12H12ClN5O/c1-7-15-3-2-9(18-7)6-17-12-10(13)4-8(5-16-12)11(14)19/h2-5H,6H2,1H3,(H2,14,19)(H,16,17)
InChIKeyZNCDRTNNTRJQCH-UHFFFAOYSA-N
XLogP1.54
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide (CID 47059518) is 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide is Cc1nccc(CNc2ncc(C(N)=O)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is ZNCDRTNNTRJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-7-15-3-2-9(18-7)6-17-12-10(13)4-8(5-16-12)11(14)19/h2-5H,6H2,1H3,(H2,14,19)(H,16,17).
What are the key properties of 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide?
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 47059518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).