N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide

C18H24ClN5O2 — CID 55856601

About N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55856601) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide
• PubChem CID: 55856601
• Molecular Formula: C18H24ClN5O2
• Molecular Weight: 377.88 g/mol
• Exact Mass: 377.16
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide
• SMILES: CN(C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)C(C)(C)C#N
• InChI: InChI=1S/C18H24ClN5O2/c1-18(2,12-20)23(3)16(25)11-24-8-6-13(7-9-24)17(26)22-15-5-4-14(19)10-21-15/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,22,26)
• InChIKey: YCEURKZLFKHFEO-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 89.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.88
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide (CID 55856601) is N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide is CN(C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)C(C)(C)C#N.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide?

The InChIKey is YCEURKZLFKHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-18(2,12-20)23(3)16(25)11-24-8-6-13(7-9-24)17(26)22-15-5-4-14(19)10-21-15/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,22,26).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55856601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).