N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide

C15H19ClN4O2 — CID 166411501

IUPACN-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCC(Nc2ncccc2Cl)CC1
InChIInChI=1S/C15H19ClN4O2/c1-2-13(21)18-10-14(22)20-8-5-11(6-9-20)19-15-12(16)4-3-7-17-15/h2-4,7,11H,1,5-6,8-10H2,(H,17,19)(H,18,21)
InChIKeyDHEGXBQPEYOOIO-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.44
Rot. Bonds5

About N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide

N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 166411501) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
PubChem CID166411501
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC NameN-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N1CCC(Nc2ncccc2Cl)CC1
InChIInChI=1S/C15H19ClN4O2/c1-2-13(21)18-10-14(22)20-8-5-11(6-9-20)19-15-12(16)4-3-7-17-15/h2-4,7,11H,1,5-6,8-10H2,(H,17,19)(H,18,21)
InChIKeyDHEGXBQPEYOOIO-UHFFFAOYSA-N
XLogP1.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide (CID 166411501) is N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)N1CCC(Nc2ncccc2Cl)CC1.
What is the InChIKey of N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is DHEGXBQPEYOOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-2-13(21)18-10-14(22)20-8-5-11(6-9-20)19-15-12(16)4-3-7-17-15/h2-4,7,11H,1,5-6,8-10H2,(H,17,19)(H,18,21).
What are the key properties of N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide?
N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 322.80 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-chloro-2-pyridinyl)amino]piperidin-1-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 166411501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).