N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C18H17N5O — CID 133300375

IUPACN-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(NCc2ccc(NC(=O)c3ccncc3)cc2)ncn1
InChIInChI=1S/C18H17N5O/c1-13-10-17(22-12-21-13)20-11-14-2-4-16(5-3-14)23-18(24)15-6-8-19-9-7-15/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyBEILNPBRMDNZOD-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.04
Rot. Bonds5

About N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133300375) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID133300375
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(NCc2ccc(NC(=O)c3ccncc3)cc2)ncn1
InChIInChI=1S/C18H17N5O/c1-13-10-17(22-12-21-13)20-11-14-2-4-16(5-3-14)23-18(24)15-6-8-19-9-7-15/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyBEILNPBRMDNZOD-UHFFFAOYSA-N
XLogP3.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109350226
N-[4-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860976
N-(4-propan-2-ylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350192
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
N-(4-acetylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347355
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 133300375) is N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is Cc1cc(NCc2ccc(NC(=O)c3ccncc3)cc2)ncn1.
What is the InChIKey of N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is BEILNPBRMDNZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-10-17(22-12-21-13)20-11-14-2-4-16(5-3-14)23-18(24)15-6-8-19-9-7-15/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133300375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).