N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide

C17H15N5O — CID 31860864

IUPACN-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C17H15N5O/c23-16(21-12-15-6-1-2-8-18-15)13-5-3-7-14(11-13)22-17-19-9-4-10-20-17/h1-11H,12H2,(H,21,23)(H,19,20,22)
InChIKeyLWBCHFMBHMHZLX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.55
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide

N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 31860864) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
PubChem CID31860864
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C17H15N5O/c23-16(21-12-15-6-1-2-8-18-15)13-5-3-7-14(11-13)22-17-19-9-4-10-20-17/h1-11H,12H2,(H,21,23)(H,19,20,22)
InChIKeyLWBCHFMBHMHZLX-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

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 71913514
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258652
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide (CID 31860864) is N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide is O=C(NCc1ccccn1)c1cccc(Nc2ncccn2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is LWBCHFMBHMHZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(21-12-15-6-1-2-8-18-15)13-5-3-7-14(11-13)22-17-19-9-4-10-20-17/h1-11H,12H2,(H,21,23)(H,19,20,22).
What are the key properties of N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide?
N-(pyridin-2-ylmethyl)-3-(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-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 31860864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).