2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide

C12H19ClN4O — CID 90860772

IUPAC2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide
SMILESNCCCCC(N)C(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN4O/c13-11-5-4-9(7-16-11)8-17-12(18)10(15)3-1-2-6-14/h4-5,7,10H,1-3,6,8,14-15H2,(H,17,18)
InChIKeyOZFGCHCDRDHBRC-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.81
Rot. Bonds7

About 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide

2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide (PubChem CID 90860772) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound Name2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide
PubChem CID90860772
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide
SMILESNCCCCC(N)C(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN4O/c13-11-5-4-9(7-16-11)8-17-12(18)10(15)3-1-2-6-14/h4-5,7,10H,1-3,6,8,14-15H2,(H,17,18)
InChIKeyOZFGCHCDRDHBRC-UHFFFAOYSA-N
XLogP0.81
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(6-chloro-3-pyridinyl)methyl]-3-methylbutanamide
CID 77144550
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
CID 70869921
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
(2S)-2,6-diamino-N-[[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]methyl]hexanamide
CID 167774989
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
2,6-diamino-N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]hexanamide
CID 122440664
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 104680894
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide?
The IUPAC name of 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide (CID 90860772) is 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide.
What is the SMILES notation for 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide?
The canonical SMILES for 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide is NCCCCC(N)C(=O)NCc1ccc(Cl)nc1.
What is the InChIKey of 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide?
The InChIKey is OZFGCHCDRDHBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c13-11-5-4-9(7-16-11)8-17-12(18)10(15)3-1-2-6-14/h4-5,7,10H,1-3,6,8,14-15H2,(H,17,18).
What are the key properties of 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide?
2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide has a molecular weight of 270.76 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 90860772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).