N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C26H27N5O3 — CID 175384488

IUPACN-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(CCC1CCC1)NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1
InChIInChI=1S/C26H27N5O3/c32-24(10-8-17-4-3-5-17)27-16-20-13-19-9-7-18(12-21(19)29-20)15-28-26(34)22-14-25(33)31-11-2-1-6-23(31)30-22/h1-2,6-7,9,11-14,17,29H,3-5,8,10,15-16H2,(H,27,32)(H,28,34)
InChIKeyISCVDQJAAMYYHY-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.30
Rot. Bonds8

About N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 175384488) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID175384488
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(CCC1CCC1)NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1
InChIInChI=1S/C26H27N5O3/c32-24(10-8-17-4-3-5-17)27-16-20-13-19-9-7-18(12-21(19)29-20)15-28-26(34)22-14-25(33)31-11-2-1-6-23(31)30-22/h1-2,6-7,9,11-14,17,29H,3-5,8,10,15-16H2,(H,27,32)(H,28,34)
InChIKeyISCVDQJAAMYYHY-UHFFFAOYSA-N
XLogP3.30
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-(methyliminomethyl)-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 166154078
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-[[cyclohexyl(formyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167728
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-(2-anilino-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 162715461
2-[1-[[3-amino-4-[(E)-3-(cyclobutylmethylamino)-2-methylprop-1-enyl]phenyl]methylamino]ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 166154074
3-cyclopentyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
CID 90569470
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 175384488) is N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(CCC1CCC1)NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1.
What is the InChIKey of N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is ISCVDQJAAMYYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-24(10-8-17-4-3-5-17)27-16-20-13-19-9-7-18(12-21(19)29-20)15-28-26(34)22-14-25(33)31-11-2-1-6-23(31)30-22/h1-2,6-7,9,11-14,17,29H,3-5,8,10,15-16H2,(H,27,32)(H,28,34).
What are the key properties of N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 175384488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).