N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide

C17H15N5O — CID 71701880

IUPACN-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C17H15N5O/c23-16(21-12-13-6-10-18-11-7-13)14-2-4-15(5-3-14)22-17-19-8-1-9-20-17/h1-11H,12H2,(H,21,23)(H,19,20,22)
InChIKeyJARNVOXVEYITQW-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.55
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide

N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide (PubChem CID 71701880) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
PubChem CID71701880
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C17H15N5O/c23-16(21-12-13-6-10-18-11-7-13)14-2-4-15(5-3-14)22-17-19-8-1-9-20-17/h1-11H,12H2,(H,21,23)(H,19,20,22)
InChIKeyJARNVOXVEYITQW-UHFFFAOYSA-N
XLogP2.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
N-(pyridin-4-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109259201
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
2-(4-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307662
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide (CID 71701880) is N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide is O=C(NCc1ccncc1)c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide?
The InChIKey is JARNVOXVEYITQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(21-12-13-6-10-18-11-7-13)14-2-4-15(5-3-14)22-17-19-8-1-9-20-17/h1-11H,12H2,(H,21,23)(H,19,20,22).
What are the key properties of N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide?
N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 71701880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).