N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide

C18H20N6O — CID 118785958

IUPACN-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCn1nnc2cc(NC(=O)N3CCCCC3c3cccnc3)ccc21
InChIInChI=1S/C18H20N6O/c1-23-17-8-7-14(11-15(17)21-22-23)20-18(25)24-10-3-2-6-16(24)13-5-4-9-19-12-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3,(H,20,25)
InChIKeyHMECWRRSLIIUCH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.12
Rot. Bonds2

About N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide

N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 118785958) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID118785958
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
SMILESCn1nnc2cc(NC(=O)N3CCCCC3c3cccnc3)ccc21
InChIInChI=1S/C18H20N6O/c1-23-17-8-7-14(11-15(17)21-22-23)20-18(25)24-10-3-2-6-16(24)13-5-4-9-19-12-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3,(H,20,25)
InChIKeyHMECWRRSLIIUCH-UHFFFAOYSA-N
XLogP3.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 97275123
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 125166444
(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 98201542
(2S)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819296
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 167774268
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
(2S)-N-[4-(morpholine-4-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819295

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide (CID 118785958) is N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide is Cn1nnc2cc(NC(=O)N3CCCCC3c3cccnc3)ccc21.
What is the InChIKey of N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is HMECWRRSLIIUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-17-8-7-14(11-15(17)21-22-23)20-18(25)24-10-3-2-6-16(24)13-5-4-9-19-12-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3,(H,20,25).
What are the key properties of N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide?
N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzotriazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 118785958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).