4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine

C13H16F2N4O — CID 175337597

IUPAC4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine
SMILESNC(=O)C1CNCCC1(F)F.c1cnc2cc[nH]c2c1
InChIInChI=1S/C7H6N2.C6H10F2N2O/c1-2-6-7(8-4-1)3-5-9-6;7-6(8)1-2-10-3-4(6)5(9)11/h1-5,9H;4,10H,1-3H2,(H2,9,11)
InChIKeyAMUFRNASFTUIMI-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.28
Rot. Bonds1

About 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine

4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine (PubChem CID 175337597) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine
PubChem CID175337597
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine
SMILESNC(=O)C1CNCCC1(F)F.c1cnc2cc[nH]c2c1
InChIInChI=1S/C7H6N2.C6H10F2N2O/c1-2-6-7(8-4-1)3-5-9-6;7-6(8)1-2-10-3-4(6)5(9)11/h1-5,9H;4,10H,1-3H2,(H2,9,11)
InChIKeyAMUFRNASFTUIMI-UHFFFAOYSA-N
XLogP1.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 57344305
2-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide
CID 57344311
5-[1-[(4,4-Difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]pyridin-2-ol
CID 118060171
N-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 134787904
7-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 145952237
(3S)-1-[(3,4-difluorophenyl)methyl]-N-[6-(1H-pyrrol-2-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 162674155
N-[4-[[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 110236451
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 155518648
1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 155532606
[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 155552690
1H-Pyrrolo[3,2-b]pyridine-3-acetamide
CID 57421417
N-[[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 121664156

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine (CID 175337597) is 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine is NC(=O)C1CNCCC1(F)F.c1cnc2cc[nH]c2c1.
What is the InChIKey of 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine?
The InChIKey is AMUFRNASFTUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H10F2N2O/c1-2-6-7(8-4-1)3-5-9-6;7-6(8)1-2-10-3-4(6)5(9)11/h1-5,9H;4,10H,1-3H2,(H2,9,11).
What are the key properties of 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine?
4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine has a molecular weight of 282.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-3-carboxamide;1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175337597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).