4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide

C21H21N5O3 — CID 53132253

IUPAC4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
SMILESCc1ccc2c(Nc3ccc(C(N)=O)cc3)c(C(=O)N3CCOCC3)cnc2n1
InChIInChI=1S/C21H21N5O3/c1-13-2-7-16-18(25-15-5-3-14(4-6-15)19(22)27)17(12-23-20(16)24-13)21(28)26-8-10-29-11-9-26/h2-7,12H,8-11H2,1H3,(H2,22,27)(H,23,24,25)
InChIKeyULAFZCPNMDMDEP-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.25
Rot. Bonds4

About 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide

4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide (PubChem CID 53132253) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
PubChem CID53132253
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
SMILESCc1ccc2c(Nc3ccc(C(N)=O)cc3)c(C(=O)N3CCOCC3)cnc2n1
InChIInChI=1S/C21H21N5O3/c1-13-2-7-16-18(25-15-5-3-14(4-6-15)19(22)27)17(12-23-20(16)24-13)21(28)26-8-10-29-11-9-26/h2-7,12H,8-11H2,1H3,(H2,22,27)(H,23,24,25)
InChIKeyULAFZCPNMDMDEP-UHFFFAOYSA-N
XLogP2.25
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063932
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063924
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064190
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213

Frequently Asked Questions

What is the IUPAC name of 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide?
The IUPAC name of 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide (CID 53132253) is 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide is Cc1ccc2c(Nc3ccc(C(N)=O)cc3)c(C(=O)N3CCOCC3)cnc2n1.
What is the InChIKey of 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide?
The InChIKey is ULAFZCPNMDMDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-2-7-16-18(25-15-5-3-14(4-6-15)19(22)27)17(12-23-20(16)24-13)21(28)26-8-10-29-11-9-26/h2-7,12H,8-11H2,1H3,(H2,22,27)(H,23,24,25).
What are the key properties of 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide?
4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide has a molecular weight of 391.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide is sourced from PubChem (CID 53132253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).