4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide

C18H25N5O2 — CID 154801608

IUPAC4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide
SMILESCCOC1(C)CCN(C(=O)Nc2cccnc2-c2cnn(C)c2)CC1
InChIInChI=1S/C18H25N5O2/c1-4-25-18(2)7-10-23(11-8-18)17(24)21-15-6-5-9-19-16(15)14-12-20-22(3)13-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyPHUCVBRWLNVLGL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.90
Rot. Bonds4

About 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide

4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 154801608) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide
PubChem CID154801608
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide
SMILESCCOC1(C)CCN(C(=O)Nc2cccnc2-c2cnn(C)c2)CC1
InChIInChI=1S/C18H25N5O2/c1-4-25-18(2)7-10-23(11-8-18)17(24)21-15-6-5-9-19-16(15)14-12-20-22(3)13-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyPHUCVBRWLNVLGL-UHFFFAOYSA-N
XLogP2.90
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide (CID 154801608) is 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide is CCOC1(C)CCN(C(=O)Nc2cccnc2-c2cnn(C)c2)CC1.
What is the InChIKey of 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is PHUCVBRWLNVLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-25-18(2)7-10-23(11-8-18)17(24)21-15-6-5-9-19-16(15)14-12-20-22(3)13-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,21,24).
What are the key properties of 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide?
4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-methyl-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 154801608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).