2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide

C29H27N5O2 — CID 67247399

IUPAC2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C29H27N5O2/c1-18-23(19(2)36-34-18)12-14-32-29(35)28-25-16-24(21-6-4-3-5-7-21)27(33-26(25)13-15-31-28)22-10-8-20(17-30)9-11-22/h3-11,13,15-16H,12,14,17,30H2,1-2H3,(H,32,35)
InChIKeyOCXZPPMGPVZSCF-UHFFFAOYSA-N
MW477.57 g/mol
LogP5.00
Rot. Bonds7

About 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide

2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide (PubChem CID 67247399) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
PubChem CID67247399
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C29H27N5O2/c1-18-23(19(2)36-34-18)12-14-32-29(35)28-25-16-24(21-6-4-3-5-7-21)27(33-26(25)13-15-31-28)22-10-8-20(17-30)9-11-22/h3-11,13,15-16H,12,14,17,30H2,1-2H3,(H,32,35)
InChIKeyOCXZPPMGPVZSCF-UHFFFAOYSA-N
XLogP5.00
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959305
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251722
N-(2-acetamidoethyl)-2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927235
2-[4-(aminomethyl)phenyl]-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927240
[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597087
2-[4-(aminomethyl)phenyl]-N'-hydroxy-3-phenyl-1,6-naphthyridine-5-carboximidamide;hydrochloride
CID 173038122
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597105
[4-[5-(2-acetamidoethylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959334
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide (CID 67247399) is 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide is Cc1noc(C)c1CCNC(=O)c1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
The InChIKey is OCXZPPMGPVZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-18-23(19(2)36-34-18)12-14-32-29(35)28-25-16-24(21-6-4-3-5-7-21)27(33-26(25)13-15-31-28)22-10-8-20(17-30)9-11-22/h3-11,13,15-16H,12,14,17,30H2,1-2H3,(H,32,35).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 67247399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).