N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide

C23H21N5O3 — CID 45377996

IUPACN-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide
SMILESCON(C)C(=O)c1cc2cc(-c3ccnc(C(=O)NCc4ccncc4)c3)ccc2[nH]1
InChIInChI=1S/C23H21N5O3/c1-28(31-2)23(30)21-13-18-11-16(3-4-19(18)27-21)17-7-10-25-20(12-17)22(29)26-14-15-5-8-24-9-6-15/h3-13,27H,14H2,1-2H3,(H,26,29)
InChIKeyGUSAIXRLXFUFJI-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.19
Rot. Bonds6

About N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide

N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 45377996) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide
PubChem CID45377996
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide
SMILESCON(C)C(=O)c1cc2cc(-c3ccnc(C(=O)NCc4ccncc4)c3)ccc2[nH]1
InChIInChI=1S/C23H21N5O3/c1-28(31-2)23(30)21-13-18-11-16(3-4-19(18)27-21)17-7-10-25-20(12-17)22(29)26-14-15-5-8-24-9-6-15/h3-13,27H,14H2,1-2H3,(H,26,29)
InChIKeyGUSAIXRLXFUFJI-UHFFFAOYSA-N
XLogP3.19
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid
CID 45377841
ethyl 5-[2-[(4-phenylmethoxycarbonylphenyl)methylcarbamoyl]-4-pyridinyl]-1H-indole-2-carboxylate
CID 66989065
4-[3-[2-[methoxy(methyl)carbamoyl]-4-methylhex-1-enyl]-4-methylphenyl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 91033316
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 135887221
3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one
CID 58506035
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
CID 69159261
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320
4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110257631
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide (CID 45377996) is N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide is CON(C)C(=O)c1cc2cc(-c3ccnc(C(=O)NCc4ccncc4)c3)ccc2[nH]1.
What is the InChIKey of N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is GUSAIXRLXFUFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-28(31-2)23(30)21-13-18-11-16(3-4-19(18)27-21)17-7-10-25-20(12-17)22(29)26-14-15-5-8-24-9-6-15/h3-13,27H,14H2,1-2H3,(H,26,29).
What are the key properties of N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide?
N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 45377996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).