7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C18H19N5O — CID 173153513

IUPAC7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCC(c1c[nH]c2ccccc12)N1CCc2cnc(C(N)=O)nc2C1
InChIInChI=1S/C18H19N5O/c1-11(14-9-20-15-5-3-2-4-13(14)15)23-7-6-12-8-21-18(17(19)24)22-16(12)10-23/h2-5,8-9,11,20H,6-7,10H2,1H3,(H2,19,24)
InChIKeyRUTCGFKOODELHZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.18
Rot. Bonds3

About 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153513) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153513
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCC(c1c[nH]c2ccccc12)N1CCc2cnc(C(N)=O)nc2C1
InChIInChI=1S/C18H19N5O/c1-11(14-9-20-15-5-3-2-4-13(14)15)23-7-6-12-8-21-18(17(19)24)22-16(12)10-23/h2-5,8-9,11,20H,6-7,10H2,1H3,(H2,19,24)
InChIKeyRUTCGFKOODELHZ-UHFFFAOYSA-N
XLogP2.18
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153608
1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one
CID 67186064
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 142632274
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929
ethyl (2R,3S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-(1H-indol-3-yl)butanoate
CID 58724097
9H-pyrimido[4,5-b]indole-2-carboxamide
CID 141000079
2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781669
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153513) is 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is CC(c1c[nH]c2ccccc12)N1CCc2cnc(C(N)=O)nc2C1.
What is the InChIKey of 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is RUTCGFKOODELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11(14-9-20-15-5-3-2-4-13(14)15)23-7-6-12-8-21-18(17(19)24)22-16(12)10-23/h2-5,8-9,11,20H,6-7,10H2,1H3,(H2,19,24).
What are the key properties of 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1H-indol-3-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).