4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C14H17F2N5O — CID 164818371

IUPAC4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCNCC1(F)F
InChIInChI=1S/C14H17F2N5O/c1-17-13(22)9-6-20-12-8(2-5-19-12)11(9)21-10-3-4-18-7-14(10,15)16/h2,5-6,10,18H,3-4,7H2,1H3,(H,17,22)(H2,19,20,21)
InChIKeyPSBXZFYVTKRODS-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.33
Rot. Bonds3

About 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 164818371) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID164818371
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCNCC1(F)F
InChIInChI=1S/C14H17F2N5O/c1-17-13(22)9-6-20-12-8(2-5-19-12)11(9)21-10-3-4-18-7-14(10,15)16/h2,5-6,10,18H,3-4,7H2,1H3,(H,17,22)(H2,19,20,21)
InChIKeyPSBXZFYVTKRODS-UHFFFAOYSA-N
XLogP1.33
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-methyl-4-[[(2R,4R)-2-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167167182
N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 145134213
tert-butyl (3S,4R)-3-fluoro-4-[[5-(methylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
CID 155757107
4-[[(3R,4R)-1-[(4-chlorophenyl)methyl]-3-fluoropiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164818356
N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753460
4-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757112
4-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757135
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 138595405
4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 121267960
4-[[(2S,4S)-1-[(6-cyano-3-pyridinyl)methyl]-2-methylpiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167089567

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 164818371) is 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CCNCC1(F)F.
What is the InChIKey of 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is PSBXZFYVTKRODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c1-17-13(22)9-6-20-12-8(2-5-19-12)11(9)21-10-3-4-18-7-14(10,15)16/h2,5-6,10,18H,3-4,7H2,1H3,(H,17,22)(H2,19,20,21).
What are the key properties of 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 164818371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).