1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide

C17H21F2N5O — CID 167842832

IUPAC1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)C3CCCN(CC(F)F)C3)c2)cn1
InChIInChI=1S/C17H21F2N5O/c1-23-9-14(8-21-23)12-4-5-20-16(7-12)22-17(25)13-3-2-6-24(10-13)11-15(18)19/h4-5,7-9,13,15H,2-3,6,10-11H2,1H3,(H,20,22,25)
InChIKeyKKXMNRQWGLLTMP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.40
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide

1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 167842832) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID167842832
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC Name1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)C3CCCN(CC(F)F)C3)c2)cn1
InChIInChI=1S/C17H21F2N5O/c1-23-9-14(8-21-23)12-4-5-20-16(7-12)22-17(25)13-3-2-6-24(10-13)11-15(18)19/h4-5,7-9,13,15H,2-3,6,10-11H2,1H3,(H,20,22,25)
InChIKeyKKXMNRQWGLLTMP-UHFFFAOYSA-N
XLogP2.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 167816356
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 167945884
4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 167767382
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138588253
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide (CID 167842832) is 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide is Cn1cc(-c2ccnc(NC(=O)C3CCCN(CC(F)F)C3)c2)cn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is KKXMNRQWGLLTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O/c1-23-9-14(8-21-23)12-4-5-20-16(7-12)22-17(25)13-3-2-6-24(10-13)11-15(18)19/h4-5,7-9,13,15H,2-3,6,10-11H2,1H3,(H,20,22,25).
What are the key properties of 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide?
1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 167842832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).