2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

C16H17ClN4O2 — CID 33028506

IUPAC2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1cccnc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-15-13(2-1-4-19-15)16(22)20-11-12-3-5-18-14(10-12)21-6-8-23-9-7-21/h1-5,10H,6-9,11H2,(H,20,22)
InChIKeyWRPIUPJERZGJSW-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 33028506) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID33028506
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1cccnc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-15-13(2-1-4-19-15)16(22)20-11-12-3-5-18-14(10-12)21-6-8-23-9-7-21/h1-5,10H,6-9,11H2,(H,20,22)
InChIKeyWRPIUPJERZGJSW-UHFFFAOYSA-N
XLogP1.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 33028506) is 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccnc(N2CCOCC2)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is WRPIUPJERZGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-15-13(2-1-4-19-15)16(22)20-11-12-3-5-18-14(10-12)21-6-8-23-9-7-21/h1-5,10H,6-9,11H2,(H,20,22).
What are the key properties of 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 33028506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).