N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide

C21H22N4O3 — CID 16735447

IUPACN-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4O3/c26-20(16-13-23-17-5-2-1-4-15(16)17)25-18-6-3-9-22-19(18)21(27)24-12-14-7-10-28-11-8-14/h1-6,9,13-14,23H,7-8,10-12H2,(H,24,27)(H,25,26)
InChIKeyMORTVSMBXBLJCM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide

N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide (PubChem CID 16735447) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide
PubChem CID16735447
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N4O3/c26-20(16-13-23-17-5-2-1-4-15(16)17)25-18-6-3-9-22-19(18)21(27)24-12-14-7-10-28-11-8-14/h1-6,9,13-14,23H,7-8,10-12H2,(H,24,27)(H,25,26)
InChIKeyMORTVSMBXBLJCM-UHFFFAOYSA-N
XLogP2.97
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid
CID 69366219
3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 162066010
N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973457
N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973420
2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 159936141
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(pyrazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 158282571
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
N-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 115572262
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 16736339

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide (CID 16735447) is N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide is O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide?
The InChIKey is MORTVSMBXBLJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(16-13-23-17-5-2-1-4-15(16)17)25-18-6-3-9-22-19(18)21(27)24-12-14-7-10-28-11-8-14/h1-6,9,13-14,23H,7-8,10-12H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide?
N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 16735447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).