N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C18H21ClFN5O — CID 167790957

IUPACN-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESC[C@@H](NC(=O)N1CCc2nc(N(C)C)ncc2C1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H21ClFN5O/c1-11(14-8-13(19)4-5-15(14)20)22-18(26)25-7-6-16-12(10-25)9-21-17(23-16)24(2)3/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,22,26)/t11-/m1/s1
InChIKeyVSEVKRZXAONSCM-LLVKDONJSA-N
MW377.85 g/mol
LogP3.16
Rot. Bonds3

About N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 167790957) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID167790957
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC NameN-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESC[C@@H](NC(=O)N1CCc2nc(N(C)C)ncc2C1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H21ClFN5O/c1-11(14-8-13(19)4-5-15(14)20)22-18(26)25-7-6-16-12(10-25)9-21-17(23-16)24(2)3/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,22,26)/t11-/m1/s1
InChIKeyVSEVKRZXAONSCM-LLVKDONJSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5,5-dimethylhexane-1,4-dione
CID 166339403
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147188
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146130676
6-chloro-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128738323
7-chloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 126430087
N-[(1S,2S)-1-(3-chloro-4-fluorophenyl)-2-hydroxypropyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645266
N-[1-(4-chlorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75865125
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 94031247
methyl 2-[[2-(3-chloroanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-methylamino]acetate
CID 57388826
2-(4-chlorophenyl)-2,2-difluoro-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 154834070
N-[1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 42934643
2-[4-[2-(4-chloro-2-fluorophenyl)ethenyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 175236386

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 167790957) is N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is C[C@@H](NC(=O)N1CCc2nc(N(C)C)ncc2C1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is VSEVKRZXAONSCM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21ClFN5O/c1-11(14-8-13(19)4-5-15(14)20)22-18(26)25-7-6-16-12(10-25)9-21-17(23-16)24(2)3/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,22,26)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-chloro-2-fluorophenyl)ethyl]-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 167790957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).