2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide

C19H23ClN4O2 — CID 139790049

IUPAC2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCCCNC(=O)c2cccnc2)c(Cl)n1
InChIInChI=1S/C19H23ClN4O2/c1-14-8-9-16(17(20)24-14)19(26)23-12-5-3-2-4-11-22-18(25)15-7-6-10-21-13-15/h6-10,13H,2-5,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYAHFZXVWTITNNZ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.16
Rot. Bonds9

About 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide

2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide (PubChem CID 139790049) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide
PubChem CID139790049
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCCCNC(=O)c2cccnc2)c(Cl)n1
InChIInChI=1S/C19H23ClN4O2/c1-14-8-9-16(17(20)24-14)19(26)23-12-5-3-2-4-11-22-18(25)15-7-6-10-21-13-15/h6-10,13H,2-5,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYAHFZXVWTITNNZ-UHFFFAOYSA-N
XLogP3.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.16
H-Bond Donors ≤ 52
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

N-octadecylpyridine-3-carboxamide
CID 3547337
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide (CID 139790049) is 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCCCCNC(=O)c2cccnc2)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide?
The InChIKey is YAHFZXVWTITNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14-8-9-16(17(20)24-14)19(26)23-12-5-3-2-4-11-22-18(25)15-7-6-10-21-13-15/h6-10,13H,2-5,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide?
2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide is sourced from PubChem (CID 139790049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).