4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

C25H29N5O3 — CID 10343587

IUPAC4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5c(c4)NCCO5)CC3)c2n1
InChIInChI=1S/C25H29N5O3/c1-32-23-9-7-19-24(30-23)20(10-11-26-19)29-25(31)17-3-5-18(6-4-17)28-15-16-2-8-22-21(14-16)27-12-13-33-22/h2,7-11,14,17-18,27-28H,3-6,12-13,15H2,1H3,(H,26,29,31)
InChIKeyZCQQYUKXJDZWSN-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.73
Rot. Bonds6

About 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 10343587) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID10343587
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5c(c4)NCCO5)CC3)c2n1
InChIInChI=1S/C25H29N5O3/c1-32-23-9-7-19-24(30-23)20(10-11-26-19)29-25(31)17-3-5-18(6-4-17)28-15-16-2-8-22-21(14-16)27-12-13-33-22/h2,7-11,14,17-18,27-28H,3-6,12-13,15H2,1H3,(H,26,29,31)
InChIKeyZCQQYUKXJDZWSN-UHFFFAOYSA-N
XLogP3.73
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (CID 10343587) is 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5c(c4)NCCO5)CC3)c2n1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is ZCQQYUKXJDZWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-32-23-9-7-19-24(30-23)20(10-11-26-19)29-25(31)17-3-5-18(6-4-17)28-15-16-2-8-22-21(14-16)27-12-13-33-22/h2,7-11,14,17-18,27-28H,3-6,12-13,15H2,1H3,(H,26,29,31).
What are the key properties of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 10343587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).