N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

C17H23N5O — CID 118450576

IUPACN,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccn(-c2ccncc2N2CCC(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C17H23N5O/c1-13-5-11-22(19-13)15-4-8-18-12-16(15)21-9-6-14(7-10-21)17(23)20(2)3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyJIMZCKABYWKBGH-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.88
Rot. Bonds3

About N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118450576) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118450576
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccn(-c2ccncc2N2CCC(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C17H23N5O/c1-13-5-11-22(19-13)15-4-8-18-12-16(15)21-9-6-14(7-10-21)17(23)20(2)3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyJIMZCKABYWKBGH-UHFFFAOYSA-N
XLogP1.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (CID 118450576) is N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is Cc1ccn(-c2ccncc2N2CCC(C(=O)N(C)C)CC2)n1.
What is the InChIKey of N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is JIMZCKABYWKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-5-11-22(19-13)15-4-8-18-12-16(15)21-9-6-14(7-10-21)17(23)20(2)3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118450576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).