1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide

C22H24F2N4O3 — CID 46550702

IUPAC1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC(F)F
InChIInChI=1S/C22H24F2N4O3/c1-27(14-15-3-5-18(31-22(23)24)19(11-15)30-2)21(29)17-7-9-28(10-8-17)20-6-4-16(12-25)13-26-20/h3-6,11,13,17,22H,7-10,14H2,1-2H3
InChIKeyLULWDFVOOJKOKU-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.44
Rot. Bonds7

About 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 46550702) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID46550702
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC(F)F
InChIInChI=1S/C22H24F2N4O3/c1-27(14-15-3-5-18(31-22(23)24)19(11-15)30-2)21(29)17-7-9-28(10-8-17)20-6-4-16(12-25)13-26-20/h3-6,11,13,17,22H,7-10,14H2,1-2H3
InChIKeyLULWDFVOOJKOKU-UHFFFAOYSA-N
XLogP3.44
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-chloro-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 39412430
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 55628723
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27780979
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 55612264
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56582546
(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621587
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
CID 94182088
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 30840445
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 46550702) is 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide is COc1cc(CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC(F)F.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LULWDFVOOJKOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-27(14-15-3-5-18(31-22(23)24)19(11-15)30-2)21(29)17-7-9-28(10-8-17)20-6-4-16(12-25)13-26-20/h3-6,11,13,17,22H,7-10,14H2,1-2H3.
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46550702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).