N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide

C21H26N4O2 — CID 56882113

IUPACN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide
SMILESCc1ncc2c(c1CNC(=O)c1cccc(N3CCOCC3)c1)CCNC2
InChIInChI=1S/C21H26N4O2/c1-15-20(19-5-6-22-12-17(19)13-23-15)14-24-21(26)16-3-2-4-18(11-16)25-7-9-27-10-8-25/h2-4,11,13,22H,5-10,12,14H2,1H3,(H,24,26)
InChIKeySAXBOFAKOVTGRS-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.80
Rot. Bonds4

About N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide (PubChem CID 56882113) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide
PubChem CID56882113
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide
SMILESCc1ncc2c(c1CNC(=O)c1cccc(N3CCOCC3)c1)CCNC2
InChIInChI=1S/C21H26N4O2/c1-15-20(19-5-6-22-12-17(19)13-23-15)14-24-21(26)16-3-2-4-18(11-16)25-7-9-27-10-8-25/h2-4,11,13,22H,5-10,12,14H2,1H3,(H,24,26)
InChIKeySAXBOFAKOVTGRS-UHFFFAOYSA-N
XLogP1.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide (CID 56882113) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide is Cc1ncc2c(c1CNC(=O)c1cccc(N3CCOCC3)c1)CCNC2.
What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide?
The InChIKey is SAXBOFAKOVTGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-20(19-5-6-22-12-17(19)13-23-15)14-24-21(26)16-3-2-4-18(11-16)25-7-9-27-10-8-25/h2-4,11,13,22H,5-10,12,14H2,1H3,(H,24,26).
What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide?
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide has a molecular weight of 366.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 56882113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).