N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide

C18H23N5O2 — CID 91631985

IUPACN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)c1=O
InChIInChI=1S/C18H23N5O2/c1-22-8-2-3-14(18(22)25)17(24)19-13-6-9-23(10-7-13)16-11-15(20-21-16)12-4-5-12/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,24)(H,20,21)
InChIKeyXSOYMYFQZYTVIC-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide

N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 91631985) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID91631985
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)c1=O
InChIInChI=1S/C18H23N5O2/c1-22-8-2-3-14(18(22)25)17(24)19-13-6-9-23(10-7-13)16-11-15(20-21-16)12-4-5-12/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,24)(H,20,21)
InChIKeyXSOYMYFQZYTVIC-UHFFFAOYSA-N
XLogP1.38
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide (CID 91631985) is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)c1=O.
What is the InChIKey of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is XSOYMYFQZYTVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-8-2-3-14(18(22)25)17(24)19-13-6-9-23(10-7-13)16-11-15(20-21-16)12-4-5-12/h2-3,8,11-13H,4-7,9-10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91631985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).