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

C25H31N5O2 — CID 92619987

IUPACN-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,3-dimethylbutanamide
SMILESCc1nc(CN(C)C(=O)CC(C)C)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H31N5O2/c1-16(2)13-24(32)29(4)15-22-27-17(3)19-9-10-23(31)30(25(19)28-22)12-11-18-14-26-21-8-6-5-7-20(18)21/h5-8,14,16,26H,9-13,15H2,1-4H3
InChIKeyVGWSSWZYUHODAV-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.79
Rot. Bonds7

About 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

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 (PubChem CID 92619987) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 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,3-dimethylbutanamide.

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,3-dimethylbutanamide
PubChem CID92619987
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,3-dimethylbutanamide
SMILESCc1nc(CN(C)C(=O)CC(C)C)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H31N5O2/c1-16(2)13-24(32)29(4)15-22-27-17(3)19-9-10-23(31)30(25(19)28-22)12-11-18-14-26-21-8-6-5-7-20(18)21/h5-8,14,16,26H,9-13,15H2,1-4H3
InChIKeyVGWSSWZYUHODAV-UHFFFAOYSA-N
XLogP3.79
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.79
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-methylcyclopentanecarboxamide
CID 92620000
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 42772049
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
(3R,4S)-4-[benzyl(methyl)amino]-3-(1-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one
CID 118638558
5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
CID 167774874
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide
CID 42697198
3-[2-[[(1S)-3-[benzyl(methyl)amino]-3-oxo-1-phenylpropyl]amino]ethylamino]-4-(1H-indol-3-yl)butanoic acid
CID 67716218
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42653008
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962

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,3-dimethylbutanamide?
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,3-dimethylbutanamide (CID 92619987) is 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.
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,3-dimethylbutanamide?
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,3-dimethylbutanamide is Cc1nc(CN(C)C(=O)CC(C)C)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,3-dimethylbutanamide?
The InChIKey is VGWSSWZYUHODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16(2)13-24(32)29(4)15-22-27-17(3)19-9-10-23(31)30(25(19)28-22)12-11-18-14-26-21-8-6-5-7-20(18)21/h5-8,14,16,26H,9-13,15H2,1-4H3.
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,3-dimethylbutanamide?
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 has a molecular weight of 433.56 g/mol, XLogP of 3.79, 7 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,3-dimethylbutanamide is sourced from PubChem (CID 92619987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).