4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide

C17H19ClN4O2 — CID 167918382

IUPAC4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2cc(Cl)ccc2N2CCOCC2)ccn1
InChIInChI=1S/C17H19ClN4O2/c18-13-1-2-16(22-5-7-24-8-6-22)12(9-13)11-21-14-3-4-20-15(10-14)17(19)23/h1-4,9-10H,5-8,11H2,(H2,19,23)(H,20,21)
InChIKeyVPSZAVLPTQNIIM-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.28
Rot. Bonds5

About 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide

4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 167918382) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID167918382
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2cc(Cl)ccc2N2CCOCC2)ccn1
InChIInChI=1S/C17H19ClN4O2/c18-13-1-2-16(22-5-7-24-8-6-22)12(9-13)11-21-14-3-4-20-15(10-14)17(19)23/h1-4,9-10H,5-8,11H2,(H2,19,23)(H,20,21)
InChIKeyVPSZAVLPTQNIIM-UHFFFAOYSA-N
XLogP2.28
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727944
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972680
2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133359820
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
CID 119043684
4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
CID 61212473
1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122013124
1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
CID 117425635
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 100689823
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine
CID 120679682
3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 18778325

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide (CID 167918382) is 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide is NC(=O)c1cc(NCc2cc(Cl)ccc2N2CCOCC2)ccn1.
What is the InChIKey of 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is VPSZAVLPTQNIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-1-2-16(22-5-7-24-8-6-22)12(9-13)11-21-14-3-4-20-15(10-14)17(19)23/h1-4,9-10H,5-8,11H2,(H2,19,23)(H,20,21).
What are the key properties of 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide?
4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 167918382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).