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

C20H17N5O2 — CID 166154078

IUPACN-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESC/N=C/c1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1
InChIInChI=1S/C20H17N5O2/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/h2-10,12,23H,11H2,1H3,(H,22,27)/b21-12+
InChIKeySEDMMRBIUNFPLD-CIAFOILYSA-N
MW359.39 g/mol
LogP2.15
Rot. Bonds4

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

N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 166154078) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID166154078
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESC/N=C/c1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1
InChIInChI=1S/C20H17N5O2/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/h2-10,12,23H,11H2,1H3,(H,22,27)/b21-12+
InChIKeySEDMMRBIUNFPLD-CIAFOILYSA-N
XLogP2.15
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(methylaminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 156748917
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-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 175384488
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-(2-anilino-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 162715461
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
N-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167590
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
4-oxo-N-[[6-[(1,3-thiazol-5-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167347

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 166154078) is N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is C/N=C/c1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1.
What is the InChIKey of N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is SEDMMRBIUNFPLD-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17N5O2/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/h2-10,12,23H,11H2,1H3,(H,22,27)/b21-12+.
What are the key properties of N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166154078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).