N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide

C27H23N5O — CID 58524778

IUPACN-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide
SMILESNCc1ccc(-c2nc3ccnc(CNC(=O)C4=NC=CC4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H23N5O/c28-16-18-8-10-20(11-9-18)26-21(19-5-2-1-3-6-19)15-22-23(32-26)12-14-30-25(22)17-31-27(33)24-7-4-13-29-24/h1-6,8-15H,7,16-17,28H2,(H,31,33)
InChIKeyQIUGPVFGLQUCLW-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.40
Rot. Bonds6

About N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide

N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide (PubChem CID 58524778) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide
PubChem CID58524778
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC NameN-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide
SMILESNCc1ccc(-c2nc3ccnc(CNC(=O)C4=NC=CC4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H23N5O/c28-16-18-8-10-20(11-9-18)26-21(19-5-2-1-3-6-19)15-22-23(32-26)12-14-30-25(22)17-31-27(33)24-7-4-13-29-24/h1-6,8-15H,7,16-17,28H2,(H,31,33)
InChIKeyQIUGPVFGLQUCLW-UHFFFAOYSA-N
XLogP4.40
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
[4-[3-phenyl-5-[(pyridin-4-ylmethylamino)methyl]-1,6-naphthyridin-2-yl]phenyl]methanamine;trihydrochloride
CID 173038240
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251722
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
N-(2-acetamidoethyl)-2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927235
3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol
CID 58524325
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597105

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide?
The IUPAC name of N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide (CID 58524778) is N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide is NCc1ccc(-c2nc3ccnc(CNC(=O)C4=NC=CC4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide?
The InChIKey is QIUGPVFGLQUCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c28-16-18-8-10-20(11-9-18)26-21(19-5-2-1-3-6-19)15-22-23(32-26)12-14-30-25(22)17-31-27(33)24-7-4-13-29-24/h1-6,8-15H,7,16-17,28H2,(H,31,33).
What are the key properties of N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide?
N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide is sourced from PubChem (CID 58524778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).