N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C14H17N3O2 — CID 166287482

IUPACN-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc2ccncc2[nH]1
InChIInChI=1S/C14H17N3O2/c18-14(16-8-10-2-5-19-6-3-10)12-7-11-1-4-15-9-13(11)17-12/h1,4,7,9-10,17H,2-3,5-6,8H2,(H,16,18)
InChIKeyFPUHZMHCRVZCRV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.72
Rot. Bonds3

About N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 166287482) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID166287482
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc2ccncc2[nH]1
InChIInChI=1S/C14H17N3O2/c18-14(16-8-10-2-5-19-6-3-10)12-7-11-1-4-15-9-13(11)17-12/h1,4,7,9-10,17H,2-3,5-6,8H2,(H,16,18)
InChIKeyFPUHZMHCRVZCRV-UHFFFAOYSA-N
XLogP1.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
N-ethoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 25132327
(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane
CID 142971343
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289352
5-bromo-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 62329650
(6-pyridin-4-yl-1H-benzimidazol-2-yl) N-(oxan-4-ylmethyl)carbamate
CID 130405224
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 18639207

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 166287482) is N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CCOCC1)c1cc2ccncc2[nH]1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is FPUHZMHCRVZCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(16-8-10-2-5-19-6-3-10)12-7-11-1-4-15-9-13(11)17-12/h1,4,7,9-10,17H,2-3,5-6,8H2,(H,16,18).
What are the key properties of N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166287482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).