2-[(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

C28H31N5O3 — CID 159084723

IUPAC2-[(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
SMILESCc1ccc(CC(=Cc2cnc3c(c2)CN(CCN2CCOCC2)C(=O)N3)C(N)=O)c2ccccc12
InChIInChI=1S/C28H31N5O3/c1-19-6-7-21(25-5-3-2-4-24(19)25)16-22(26(29)34)14-20-15-23-18-33(28(35)31-27(23)30-17-20)9-8-32-10-12-36-13-11-32/h2-7,14-15,17H,8-13,16,18H2,1H3,(H2,29,34)(H,30,31,35)
InChIKeySXWXNBWLNIOYJB-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.33
Rot. Bonds7

About 2-[(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

2-[(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 (PubChem CID 159084723) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[(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.

Molecular Properties

Compound Name2-[(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
PubChem CID159084723
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name2-[(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
SMILESCc1ccc(CC(=Cc2cnc3c(c2)CN(CCN2CCOCC2)C(=O)N3)C(N)=O)c2ccccc12
InChIInChI=1S/C28H31N5O3/c1-19-6-7-21(25-5-3-2-4-24(19)25)16-22(26(29)34)14-20-15-23-18-33(28(35)31-27(23)30-17-20)9-8-32-10-12-36-13-11-32/h2-7,14-15,17H,8-13,16,18H2,1H3,(H2,29,34)(H,30,31,35)
InChIKeySXWXNBWLNIOYJB-UHFFFAOYSA-N
XLogP3.33
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(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 with MolForge

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Related Compounds

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
3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enoic acid
CID 66967513
(E)-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enoic acid
CID 66967509
N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride
CID 66966917
N-[(2,3-diethoxyphenyl)methyl]-N-methyl-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide;hydrochloride
CID 66967590
1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one
CID 82050956
4-(2-morpholin-4-ylethyl)-7-[(E)-3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2-one
CID 71599672
ethyl 3-[6-[3-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl]propanoate
CID 66967019
3-[2-(2-oxo-7-azaspiro[3.5]nonan-7-yl)ethyl]-6-[(E)-3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 118155835
3-[2-(1-aminoisoquinolin-4-yl)ethynyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 156555723
N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 66966887
2-(2-methylphenyl)-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]acetamide
CID 113010878

Frequently Asked Questions

What is the IUPAC name of 2-[(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?
The IUPAC name of 2-[(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 (CID 159084723) is 2-[(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.
What is the SMILES notation for 2-[(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?
The canonical SMILES for 2-[(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 is Cc1ccc(CC(=Cc2cnc3c(c2)CN(CCN2CCOCC2)C(=O)N3)C(N)=O)c2ccccc12.
What is the InChIKey of 2-[(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?
The InChIKey is SXWXNBWLNIOYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-19-6-7-21(25-5-3-2-4-24(19)25)16-22(26(29)34)14-20-15-23-18-33(28(35)31-27(23)30-17-20)9-8-32-10-12-36-13-11-32/h2-7,14-15,17H,8-13,16,18H2,1H3,(H2,29,34)(H,30,31,35).
What are the key properties of 2-[(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?
2-[(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 has a molecular weight of 485.59 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(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 is sourced from PubChem (CID 159084723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).