N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide

C18H20N6O — CID 86801668

IUPACN,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide
SMILESCc1cc(CNc2cc(C(=O)N(C)C)ccn2)ccc1-n1cncn1
InChIInChI=1S/C18H20N6O/c1-13-8-14(4-5-16(13)24-12-19-11-22-24)10-21-17-9-15(6-7-20-17)18(25)23(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyUKCDRAAUVIGNHB-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.28
Rot. Bonds5

About N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide

N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide (PubChem CID 86801668) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide
PubChem CID86801668
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide
SMILESCc1cc(CNc2cc(C(=O)N(C)C)ccn2)ccc1-n1cncn1
InChIInChI=1S/C18H20N6O/c1-13-8-14(4-5-16(13)24-12-19-11-22-24)10-21-17-9-15(6-7-20-17)18(25)23(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyUKCDRAAUVIGNHB-UHFFFAOYSA-N
XLogP2.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide (CID 86801668) is N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide is Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)ccc1-n1cncn1.
What is the InChIKey of N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide?
The InChIKey is UKCDRAAUVIGNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-8-14(4-5-16(13)24-12-19-11-22-24)10-21-17-9-15(6-7-20-17)18(25)23(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,21).
What are the key properties of N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide?
N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 86801668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).