(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide

C17H23N5O — CID 94030798

IUPAC(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C17H23N5O/c1-13-8-14(2)12-21(11-13)17(23)19-10-15-4-6-18-16(9-15)22-7-3-5-20-22/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyXKPXBEQYRUCMDU-KBPBESRZSA-N
MW313.40 g/mol
LogP2.45
Rot. Bonds3

About (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide

(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 94030798) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID94030798
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C17H23N5O/c1-13-8-14(2)12-21(11-13)17(23)19-10-15-4-6-18-16(9-15)22-7-3-5-20-22/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyXKPXBEQYRUCMDU-KBPBESRZSA-N
XLogP2.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N',3,5-trimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111153533
4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87004175
tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 55909963
4-(3-chlorophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651816
4-(2-chlorophenyl)sulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 35651872
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168955827
methyl 1-[N'-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254617
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 51943461
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168892581

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide (CID 94030798) is (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide is C[C@H]1C[C@H](C)CN(C(=O)NCc2ccnc(-n3cccn3)c2)C1.
What is the InChIKey of (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is XKPXBEQYRUCMDU-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-8-14(2)12-21(11-13)17(23)19-10-15-4-6-18-16(9-15)22-7-3-5-20-22/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,19,23)/t13-,14-/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 94030798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).