3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide

C14H16ClN5O — CID 79835452

IUPAC3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(Cc1cccnc1)c1ccncc1Cl)=NO
InChIInChI=1S/C14H16ClN5O/c15-12-9-18-6-3-13(12)20(7-4-14(16)19-21)10-11-2-1-5-17-8-11/h1-3,5-6,8-9,21H,4,7,10H2,(H2,16,19)
InChIKeyPWFNDWSVQNCGOW-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.27
Rot. Bonds6

About 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 79835452) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID79835452
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(Cc1cccnc1)c1ccncc1Cl)=NO
InChIInChI=1S/C14H16ClN5O/c15-12-9-18-6-3-13(12)20(7-4-14(16)19-21)10-11-2-1-5-17-8-11/h1-3,5-6,8-9,21H,4,7,10H2,(H2,16,19)
InChIKeyPWFNDWSVQNCGOW-UHFFFAOYSA-N
XLogP2.27
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 61135804
3-[(3-chloro-4-pyridinyl)-ethylamino]propanethioamide
CID 79841086
3-[(5-chloropyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanimidamide
CID 105369067
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)propanamide
CID 83150108
3-[(3-bromo-4-pyridinyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 113451993
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
3-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanethioamide
CID 29301151
2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide
CID 79841121
3-[(3-bromo-5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanethioamide
CID 114835479
3-[(3-chloro-4-pyridinyl)-methylamino]propanethioamide
CID 79840987
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide
CID 104776684

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 79835452) is 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(Cc1cccnc1)c1ccncc1Cl)=NO.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is PWFNDWSVQNCGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-12-9-18-6-3-13(12)20(7-4-14(16)19-21)10-11-2-1-5-17-8-11/h1-3,5-6,8-9,21H,4,7,10H2,(H2,16,19).
What are the key properties of 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 305.77 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 79835452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).