N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride

C29H34ClN5O3 — CID 66967387

About N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride

N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride (PubChem CID 66967387) has the molecular formula C29H34ClN5O3 and a molecular weight of 536.08 g/mol. Its IUPAC name is N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride.

Molecular Properties

• Compound Name: N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride
• PubChem CID: 66967387
• Molecular Formula: C29H34ClN5O3
• Molecular Weight: 536.08 g/mol
• Exact Mass: 535.24
• IUPAC Name: N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride
• SMILES: Cc1ccc(CN(C)C(=O)C=Cc2cnc3c(c2)CN(CCN2CCOCC2)C(=O)N3)c2ccccc12.Cl
• InChI: InChI=1S/C29H33N5O3.ClH/c1-21-7-9-23(26-6-4-3-5-25(21)26)19-32(2)27(35)10-8-22-17-24-20-34(29(36)31-28(24)30-18-22)12-11-33-13-15-37-16-14-33;/h3-10,17-18H,11-16,19-20H2,1-2H3,(H,30,31,36);1H
• InChIKey: VJHJAFPTXWYFRD-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.08
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride?

The IUPAC name of N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride (CID 66967387) is N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride.

What is the SMILES notation for N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride?

The canonical SMILES for N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride is Cc1ccc(CN(C)C(=O)C=Cc2cnc3c(c2)CN(CCN2CCOCC2)C(=O)N3)c2ccccc12.Cl.

What is the InChIKey of N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride?

The InChIKey is VJHJAFPTXWYFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.ClH/c1-21-7-9-23(26-6-4-3-5-25(21)26)19-32(2)27(35)10-8-22-17-24-20-34(29(36)31-28(24)30-18-22)12-11-33-13-15-37-16-14-33;/h3-10,17-18H,11-16,19-20H2,1-2H3,(H,30,31,36);1H.

What are the key properties of N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride?

N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride has a molecular weight of 536.08 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 66967387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).