N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide

C26H31N5O2 — CID 92620000

IUPACN-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
SMILESCc1nc(CN(C)C(=O)C2CCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C26H31N5O2/c1-17-20-11-12-24(32)31(14-13-19-15-27-22-10-6-5-9-21(19)22)25(20)29-23(28-17)16-30(2)26(33)18-7-3-4-8-18/h5-6,9-10,15,18,27H,3-4,7-8,11-14,16H2,1-2H3
InChIKeyGNDPNNLJHPQIBJ-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.94
Rot. Bonds6

About N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide

N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide (PubChem CID 92620000) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
PubChem CID92620000
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
SMILESCc1nc(CN(C)C(=O)C2CCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C26H31N5O2/c1-17-20-11-12-24(32)31(14-13-19-15-27-22-10-6-5-9-21(19)22)25(20)29-23(28-17)16-30(2)26(33)18-7-3-4-8-18/h5-6,9-10,15,18,27H,3-4,7-8,11-14,16H2,1-2H3
InChIKeyGNDPNNLJHPQIBJ-UHFFFAOYSA-N
XLogP3.94
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,3-dimethylbutanamide
CID 92619987
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92620162
N-(furan-2-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42882017
(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide
CID 92620158
N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-[(2S)-oxolan-2-yl]acetamide
CID 92620167
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
N-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 42777131
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92620179

Frequently Asked Questions

What is the IUPAC name of N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide (CID 92620000) is N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide is Cc1nc(CN(C)C(=O)C2CCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The InChIKey is GNDPNNLJHPQIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-17-20-11-12-24(32)31(14-13-19-15-27-22-10-6-5-9-21(19)22)25(20)29-23(28-17)16-30(2)26(33)18-7-3-4-8-18/h5-6,9-10,15,18,27H,3-4,7-8,11-14,16H2,1-2H3.
What are the key properties of N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 92620000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).