N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide

C23H29ClN4O2 — CID 50991417

IUPACN-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCC3CCOCC3)c2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C23H29ClN4O2/c24-21-15-27-22(28-23(29)18-4-2-8-25-14-18)12-20(21)17-3-1-5-19(11-17)26-13-16-6-9-30-10-7-16/h1,3,5,11-12,15-16,18,25-26H,2,4,6-10,13-14H2,(H,27,28,29)
InChIKeyUUPXZCDRKZMXRB-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.18
Rot. Bonds6

About N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 50991417) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID50991417
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCC3CCOCC3)c2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C23H29ClN4O2/c24-21-15-27-22(28-23(29)18-4-2-8-25-14-18)12-20(21)17-3-1-5-19(11-17)26-13-16-6-9-30-10-7-16/h1,3,5,11-12,15-16,18,25-26H,2,4,6-10,13-14H2,(H,27,28,29)
InChIKeyUUPXZCDRKZMXRB-UHFFFAOYSA-N
XLogP4.18
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide (CID 50991417) is N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cccc(NCC3CCOCC3)c2)c(Cl)cn1)C1CCCNC1.
What is the InChIKey of N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is UUPXZCDRKZMXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c24-21-15-27-22(28-23(29)18-4-2-8-25-14-18)12-20(21)17-3-1-5-19(11-17)26-13-16-6-9-30-10-7-16/h1,3,5,11-12,15-16,18,25-26H,2,4,6-10,13-14H2,(H,27,28,29).
What are the key properties of N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide?
N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 50991417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).