N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C20H19N5O2 — CID 156748917

IUPACN-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCNCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-21-12-15-9-14-6-5-13(8-16(14)23-15)11-22-20(27)17-10-19(26)25-7-3-2-4-18(25)24-17/h2-10,21,23H,11-12H2,1H3,(H,22,27)
InChIKeyBZWUYJAPHWMLQC-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.83
Rot. Bonds5

About N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 156748917) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID156748917
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCNCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1
InChIInChI=1S/C20H19N5O2/c1-21-12-15-9-14-6-5-13(8-16(14)23-15)11-22-20(27)17-10-19(26)25-7-3-2-4-18(25)24-17/h2-10,21,23H,11-12H2,1H3,(H,22,27)
InChIKeyBZWUYJAPHWMLQC-UHFFFAOYSA-N
XLogP1.83
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 166154078
N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 175384488
N-[[2-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 166060827
N-[[2-[[[(1S,2S,5S)-2-hydroxy-1,5-dimethylcyclohex-3-en-1-yl]methylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 156748894
N-[3-(4-fluorophenyl)-2-oxopropyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 141384233
N-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167590
N-[[6-(2-anilino-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 162715461
1-(1H-indol-2-ylmethyl)-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 146077167
N-[[6-[[(2,2-dimethylcyclopropyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167361
4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167703
N-[[6-[[(2-fluorophenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167659
N-[[6-[(4-tert-butylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167642

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 156748917) is N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CNCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1.
What is the InChIKey of N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is BZWUYJAPHWMLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-21-12-15-9-14-6-5-13(8-16(14)23-15)11-22-20(27)17-10-19(26)25-7-3-2-4-18(25)24-17/h2-10,21,23H,11-12H2,1H3,(H,22,27).
What are the key properties of N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 156748917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).