2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

C13H17ClN6O — CID 64517367

IUPAC2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)Cc2n[nH]c(C)n2)cc(Cl)n1
InChIInChI=1S/C13H17ClN6O/c1-4-15-11-6-9(5-10(14)17-11)13(21)20(3)7-12-16-8(2)18-19-12/h5-6H,4,7H2,1-3H3,(H,15,17)(H,16,18,19)
InChIKeyKSRDTRFSFCKIHX-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.87
Rot. Bonds5

About 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 64517367) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID64517367
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)Cc2n[nH]c(C)n2)cc(Cl)n1
InChIInChI=1S/C13H17ClN6O/c1-4-15-11-6-9(5-10(14)17-11)13(21)20(3)7-12-16-8(2)18-19-12/h5-6H,4,7H2,1-3H3,(H,15,17)(H,16,18,19)
InChIKeyKSRDTRFSFCKIHX-UHFFFAOYSA-N
XLogP1.87
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511418
3,6-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridazine-4-carboxamide
CID 64512743
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
3-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511572
2-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
4-bromo-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 113339204
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 64510807
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 64517177

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (CID 64517367) is 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is CCNc1cc(C(=O)N(C)Cc2n[nH]c(C)n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is KSRDTRFSFCKIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-4-15-11-6-9(5-10(14)17-11)13(21)20(3)7-12-16-8(2)18-19-12/h5-6H,4,7H2,1-3H3,(H,15,17)(H,16,18,19).
What are the key properties of 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 64517367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).