N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide

C19H23N4O2+ — CID 9211513

IUPACN-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)[C@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-15(21-22-19(24)17-8-5-9-20-14-17)18(16-6-3-2-4-7-16)23-10-12-25-13-11-23/h2-9,14,18H,10-13H2,1H3,(H,22,24)/p+1/b21-15-/t18-/m1/s1
InChIKeyYWMABQMVRBXJBI-AFDUHFSSSA-O
MW339.42 g/mol
LogP0.84
Rot. Bonds5

About N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide

N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide (PubChem CID 9211513) has the molecular formula C19H23N4O2+ and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide
PubChem CID9211513
Molecular FormulaC19H23N4O2+
Molecular Weight339.42 g/mol
Exact Mass339.18
IUPAC NameN-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)[C@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-15(21-22-19(24)17-8-5-9-20-14-17)18(16-6-3-2-4-7-16)23-10-12-25-13-11-23/h2-9,14,18H,10-13H2,1H3,(H,22,24)/p+1/b21-15-/t18-/m1/s1
InChIKeyYWMABQMVRBXJBI-AFDUHFSSSA-O
XLogP0.84
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9214506
6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135722580
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
CID 9059924
N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
N-[(1S,2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpropan-2-yl]pyridine-3-carboxamide
CID 2343170
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide (CID 9211513) is N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1cccnc1)[C@H](c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide?
The InChIKey is YWMABQMVRBXJBI-AFDUHFSSSA-O. The full InChI is InChI=1S/C19H22N4O2/c1-15(21-22-19(24)17-8-5-9-20-14-17)18(16-6-3-2-4-7-16)23-10-12-25-13-11-23/h2-9,14,18H,10-13H2,1H3,(H,22,24)/p+1/b21-15-/t18-/m1/s1.
What are the key properties of N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide?
N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 9211513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).