N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C20H24ClFN6O2 — CID 118369650

IUPACN-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCNC(=O)C(NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H24ClFN6O2/c1-11(2)25-19-24-9-13-6-7-28(10-16(13)26-19)20(30)27-17(18(29)23-3)12-4-5-15(22)14(21)8-12/h4-5,8-9,11,17H,6-7,10H2,1-3H3,(H,23,29)(H,27,30)(H,24,25,26)
InChIKeyLDLNGFSXRVFZKB-UHFFFAOYSA-N
MW434.90 g/mol
LogP2.64
Rot. Bonds5

About N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 118369650) has the molecular formula C20H24ClFN6O2 and a molecular weight of 434.90 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID118369650
Molecular FormulaC20H24ClFN6O2
Molecular Weight434.90 g/mol
Exact Mass434.16
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCNC(=O)C(NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H24ClFN6O2/c1-11(2)25-19-24-9-13-6-7-28(10-16(13)26-19)20(30)27-17(18(29)23-3)12-4-5-15(22)14(21)8-12/h4-5,8-9,11,17H,6-7,10H2,1-3H3,(H,23,29)(H,27,30)(H,24,25,26)
InChIKeyLDLNGFSXRVFZKB-UHFFFAOYSA-N
XLogP2.64
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-2-pyrimidinyl)methyl)amino)methyl)-1-piperidinyl)methanone
CID 11741361
Pyrimidine-4-carboxamide, 65
CID 44520946
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645249
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645256
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 64
CID 44520959
Pyrimidine-4-carboxamide, 66
CID 44520960
(3-chloro-4-(18F)fluorophenyl)-[4-fluoro-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
CID 60194087
(3-Chloro-4-fluorophenyl)-[4-[[[5-chloro-4-(methylamino)pyrimidin-2-yl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 23625534
2-[3-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11164978
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 11246455
2-[3-(4-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11269073

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 118369650) is N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CNC(=O)C(NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is LDLNGFSXRVFZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN6O2/c1-11(2)25-19-24-9-13-6-7-28(10-16(13)26-19)20(30)27-17(18(29)23-3)12-4-5-15(22)14(21)8-12/h4-5,8-9,11,17H,6-7,10H2,1-3H3,(H,23,29)(H,27,30)(H,24,25,26).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 434.90 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)-2-(methylamino)-2-oxoethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 118369650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).