2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide

C18H18N4O2 — CID 112526496

IUPAC2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2cccc3[nH]c(C)cc23)ccn1
InChIInChI=1S/C18H18N4O2/c1-11-8-15-16(21-11)4-3-5-17(15)22-18(24)13-6-7-19-14(9-13)10-20-12(2)23/h3-9,21H,10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDJUXGTLHPAAXSN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.76
Rot. Bonds4

About 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide

2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide (PubChem CID 112526496) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
PubChem CID112526496
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2cccc3[nH]c(C)cc23)ccn1
InChIInChI=1S/C18H18N4O2/c1-11-8-15-16(21-11)4-3-5-17(15)22-18(24)13-6-7-19-14(9-13)10-20-12(2)23/h3-9,21H,10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDJUXGTLHPAAXSN-UHFFFAOYSA-N
XLogP2.76
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112523133
2-(methanesulfonamidomethyl)-N-(2-methyl-1H-indol-7-yl)pyridine-4-carboxamide
CID 112526802
2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 112524302
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
CID 71834899
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide (CID 112526496) is 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide is CC(=O)NCc1cc(C(=O)Nc2cccc3[nH]c(C)cc23)ccn1.
What is the InChIKey of 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide?
The InChIKey is DJUXGTLHPAAXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-8-15-16(21-11)4-3-5-17(15)22-18(24)13-6-7-19-14(9-13)10-20-12(2)23/h3-9,21H,10H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide?
2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112526496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).