1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C20H22N4O3 — CID 171638843

IUPAC1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)C)cn(Cc2cccc3[nH]ccc23)c1=O
InChIInChI=1S/C20H22N4O3/c1-12(2)23-18(25)14-9-16(19(26)21-3)20(27)24(11-14)10-13-5-4-6-17-15(13)7-8-22-17/h4-9,11-12,22H,10H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyWLZZCRFPXJGPRX-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.88
Rot. Bonds5

About 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide

1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 171638843) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID171638843
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)C)cn(Cc2cccc3[nH]ccc23)c1=O
InChIInChI=1S/C20H22N4O3/c1-12(2)23-18(25)14-9-16(19(26)21-3)20(27)24(11-14)10-13-5-4-6-17-15(13)7-8-22-17/h4-9,11-12,22H,10H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyWLZZCRFPXJGPRX-UHFFFAOYSA-N
XLogP1.88
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676411
5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 162227887
5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide;5-[2-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 161227412
5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 160951853
2-[(1S,5R)-6-[[1-(1H-indol-4-ylmethyl)-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethylcarbamic acid
CID 135341762
1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 161110422
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 135323708
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 158670228
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 143999736

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 171638843) is 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC(C)C)cn(Cc2cccc3[nH]ccc23)c1=O.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is WLZZCRFPXJGPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12(2)23-18(25)14-9-16(19(26)21-3)20(27)24(11-14)10-13-5-4-6-17-15(13)7-8-22-17/h4-9,11-12,22H,10H2,1-3H3,(H,21,26)(H,23,25).
What are the key properties of 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 171638843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).