(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C14H20N8O — CID 124590792

IUPAC(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCN(C)c1ncc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cn1
InChIInChI=1S/C14H20N8O/c1-20(2)13-16-6-11(7-17-13)19-14(23)21-5-3-4-12(8-21)22-10-15-9-18-22/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyTWAHWNBWDATUCQ-GFCCVEGCSA-N
MW316.37 g/mol
LogP1.00
Rot. Bonds3

About (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 124590792) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID124590792
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCN(C)c1ncc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cn1
InChIInChI=1S/C14H20N8O/c1-20(2)13-16-6-11(7-17-13)19-14(23)21-5-3-4-12(8-21)22-10-15-9-18-22/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyTWAHWNBWDATUCQ-GFCCVEGCSA-N
XLogP1.00
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124570047
(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
CID 97348384
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736584
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
CID 97344454
(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124721744
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95736503
3-(2,3-dimethylphenoxy)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95283546
[(1R,2R)-2-cyclohexylcyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776605
2-(2-methylpropylsulfonyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736565

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 124590792) is (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is CN(C)c1ncc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cn1.
What is the InChIKey of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is TWAHWNBWDATUCQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N8O/c1-20(2)13-16-6-11(7-17-13)19-14(23)21-5-3-4-12(8-21)22-10-15-9-18-22/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124590792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).