N,N'-bis(2-chloro-4-pyridinyl)propanediamide

C13H10Cl2N4O2 — CID 86045636

IUPACN,N'-bis(2-chloro-4-pyridinyl)propanediamide
SMILESO=C(CC(=O)Nc1ccnc(Cl)c1)Nc1ccnc(Cl)c1
InChIInChI=1S/C13H10Cl2N4O2/c14-10-5-8(1-3-16-10)18-12(20)7-13(21)19-9-2-4-17-11(15)6-9/h1-6H,7H2,(H,16,18,20)(H,17,19,21)
InChIKeyHPOFYJMDQHFMSW-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.75
Rot. Bonds4

About N,N'-bis(2-chloro-4-pyridinyl)propanediamide

N,N'-bis(2-chloro-4-pyridinyl)propanediamide (PubChem CID 86045636) has the molecular formula C13H10Cl2N4O2 and a molecular weight of 325.16 g/mol. Its IUPAC name is N,N'-bis(2-chloro-4-pyridinyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-chloro-4-pyridinyl)propanediamide
PubChem CID86045636
Molecular FormulaC13H10Cl2N4O2
Molecular Weight325.16 g/mol
Exact Mass324.02
IUPAC NameN,N'-bis(2-chloro-4-pyridinyl)propanediamide
SMILESO=C(CC(=O)Nc1ccnc(Cl)c1)Nc1ccnc(Cl)c1
InChIInChI=1S/C13H10Cl2N4O2/c14-10-5-8(1-3-16-10)18-12(20)7-13(21)19-9-2-4-17-11(15)6-9/h1-6H,7H2,(H,16,18,20)(H,17,19,21)
InChIKeyHPOFYJMDQHFMSW-UHFFFAOYSA-N
XLogP2.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
CID 107910446
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
CID 14625226
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
CID 14625252
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-chloro-4-pyridinyl)propanediamide?
The IUPAC name of N,N'-bis(2-chloro-4-pyridinyl)propanediamide (CID 86045636) is N,N'-bis(2-chloro-4-pyridinyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-chloro-4-pyridinyl)propanediamide?
The canonical SMILES for N,N'-bis(2-chloro-4-pyridinyl)propanediamide is O=C(CC(=O)Nc1ccnc(Cl)c1)Nc1ccnc(Cl)c1.
What is the InChIKey of N,N'-bis(2-chloro-4-pyridinyl)propanediamide?
The InChIKey is HPOFYJMDQHFMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O2/c14-10-5-8(1-3-16-10)18-12(20)7-13(21)19-9-2-4-17-11(15)6-9/h1-6H,7H2,(H,16,18,20)(H,17,19,21).
What are the key properties of N,N'-bis(2-chloro-4-pyridinyl)propanediamide?
N,N'-bis(2-chloro-4-pyridinyl)propanediamide has a molecular weight of 325.16 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-chloro-4-pyridinyl)propanediamide is sourced from PubChem (CID 86045636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).