N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C21H23N3O3 — CID 91815307

IUPACN-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-12-16-4-2-3-5-19(16)24(15)10-9-23-21(25)17-6-8-22-20(13-17)27-18-7-11-26-14-18/h2-6,8,12-13,18H,7,9-11,14H2,1H3,(H,23,25)
InChIKeyNAKREMVCABBARD-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 91815307) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID91815307
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-12-16-4-2-3-5-19(16)24(15)10-9-23-21(25)17-6-8-22-20(13-17)27-18-7-11-26-14-18/h2-6,8,12-13,18H,7,9-11,14H2,1H3,(H,23,25)
InChIKeyNAKREMVCABBARD-UHFFFAOYSA-N
XLogP2.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 127842915
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316
N-[1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 154861318
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 136530424
(2S)-4-methyl-2-[[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120695356
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 91815307) is N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1ccnc(OC2CCOC2)c1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is NAKREMVCABBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-12-16-4-2-3-5-19(16)24(15)10-9-23-21(25)17-6-8-22-20(13-17)27-18-7-11-26-14-18/h2-6,8,12-13,18H,7,9-11,14H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 91815307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).