N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide

C22H18N4O — CID 123798696

IUPACN-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide
SMILESNc1nccc(Cc2ccc3cc(NC(=O)c4ccccc4)ccc3c2)n1
InChIInChI=1S/C22H18N4O/c23-22-24-11-10-20(26-22)13-15-6-7-18-14-19(9-8-17(18)12-15)25-21(27)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,25,27)(H2,23,24,26)
InChIKeyHJBXZVPSECXGOU-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.06
Rot. Bonds4

About N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide

N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide (PubChem CID 123798696) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide
PubChem CID123798696
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide
SMILESNc1nccc(Cc2ccc3cc(NC(=O)c4ccccc4)ccc3c2)n1
InChIInChI=1S/C22H18N4O/c23-22-24-11-10-20(26-22)13-15-6-7-18-14-19(9-8-17(18)12-15)25-21(27)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,25,27)(H2,23,24,26)
InChIKeyHJBXZVPSECXGOU-UHFFFAOYSA-N
XLogP4.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(6,7-dimethoxyquinolin-4-yl)methyl]naphthalen-2-yl]benzamide
CID 59813544
N-quinolin-6-ylbenzamide
CID 833617
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide
CID 59058109
2-hydrazinyl-N-naphthalen-2-ylpyridine-4-carboxamide
CID 62248189
4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine
CID 67521020
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
CID 112845769
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide?
The IUPAC name of N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide (CID 123798696) is N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide.
What is the SMILES notation for N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide?
The canonical SMILES for N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide is Nc1nccc(Cc2ccc3cc(NC(=O)c4ccccc4)ccc3c2)n1.
What is the InChIKey of N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide?
The InChIKey is HJBXZVPSECXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-22-24-11-10-20(26-22)13-15-6-7-18-14-19(9-8-17(18)12-15)25-21(27)16-4-2-1-3-5-16/h1-12,14H,13H2,(H,25,27)(H2,23,24,26).
What are the key properties of N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide?
N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-aminopyrimidin-4-yl)methyl]naphthalen-2-yl]benzamide is sourced from PubChem (CID 123798696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).