2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide

C15H17F2N7O — CID 166314368

IUPAC2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1(F)F
InChIInChI=1S/C15H17F2N7O/c16-15(17)7-11(15)14(25)19-10-3-5-24(6-4-10)12-2-1-9(8-18-12)13-20-22-23-21-13/h1-2,8,10-11H,3-7H2,(H,19,25)(H,20,21,22,23)
InChIKeyYIVWCAIDPARJOT-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.00
Rot. Bonds4

About 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide

2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 166314368) has the molecular formula C15H17F2N7O and a molecular weight of 349.35 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID166314368
Molecular FormulaC15H17F2N7O
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Name2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1(F)F
InChIInChI=1S/C15H17F2N7O/c16-15(17)7-11(15)14(25)19-10-3-5-24(6-4-10)12-2-1-9(8-18-12)13-20-22-23-21-13/h1-2,8,10-11H,3-7H2,(H,19,25)(H,20,21,22,23)
InChIKeyYIVWCAIDPARJOT-UHFFFAOYSA-N
XLogP1.00
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225
1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide
CID 50842589
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
(4,4-dimethyl-1,3-oxazolidin-3-yl)-[5-(2H-tetrazol-5-yl)-2-pyridinyl]methanone
CID 138054689
1-cyclohexyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048820

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 166314368) is 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide is O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is YIVWCAIDPARJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N7O/c16-15(17)7-11(15)14(25)19-10-3-5-24(6-4-10)12-2-1-9(8-18-12)13-20-22-23-21-13/h1-2,8,10-11H,3-7H2,(H,19,25)(H,20,21,22,23).
What are the key properties of 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-[5-(2H-tetrazol-5-yl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166314368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).