4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide

C20H22N4O4 — CID 56737830

IUPAC4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NC(C)C(=O)Nc3ccccn3)n(C)c2c1
InChIInChI=1S/C20H22N4O4/c1-12(19(25)23-18-7-5-6-8-21-18)22-20(26)16-11-14-15(24(16)2)9-13(27-3)10-17(14)28-4/h5-12H,1-4H3,(H,22,26)(H,21,23,25)
InChIKeyGXKIRBDKEWDRLF-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.35
Rot. Bonds6

About 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide

4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide (PubChem CID 56737830) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
PubChem CID56737830
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NC(C)C(=O)Nc3ccccn3)n(C)c2c1
InChIInChI=1S/C20H22N4O4/c1-12(19(25)23-18-7-5-6-8-21-18)22-20(26)16-11-14-15(24(16)2)9-13(27-3)10-17(14)28-4/h5-12H,1-4H3,(H,22,26)(H,21,23,25)
InChIKeyGXKIRBDKEWDRLF-UHFFFAOYSA-N
XLogP2.35
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 29132066
5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 96565032
2-[2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-2-phenylacetic acid
CID 4839806
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4,6-dimethoxy-1-methylindole-2-carboxamide
CID 51819685
2-[(4,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 4837794
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 97263112
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide
CID 42537935
5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 29129962
5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 45369804
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
The IUPAC name of 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide (CID 56737830) is 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
The canonical SMILES for 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)NC(C)C(=O)Nc3ccccn3)n(C)c2c1.
What is the InChIKey of 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
The InChIKey is GXKIRBDKEWDRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(19(25)23-18-7-5-6-8-21-18)22-20(26)16-11-14-15(24(16)2)9-13(27-3)10-17(14)28-4/h5-12H,1-4H3,(H,22,26)(H,21,23,25).
What are the key properties of 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide?
4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 56737830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).