N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

C15H21N5O2 — CID 131921625

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1c(C)cnc(CNC(=O)C(C)Cn2cncn2)c1C
InChIInChI=1S/C15H21N5O2/c1-10-5-17-13(12(3)14(10)22-4)6-18-15(21)11(2)7-20-9-16-8-19-20/h5,8-9,11H,6-7H2,1-4H3,(H,18,21)
InChIKeyVRSCSGRJDLLQGZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.25
Rot. Bonds6

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 131921625) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID131921625
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1c(C)cnc(CNC(=O)C(C)Cn2cncn2)c1C
InChIInChI=1S/C15H21N5O2/c1-10-5-17-13(12(3)14(10)22-4)6-18-15(21)11(2)7-20-9-16-8-19-20/h5,8-9,11H,6-7H2,1-4H3,(H,18,21)
InChIKeyVRSCSGRJDLLQGZ-UHFFFAOYSA-N
XLogP1.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 124847125
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563469
(2S)-2-methyl-N-[(2R)-2-(4-methylphenoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 92557955
(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124750666
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 56505076
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111204308
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131907809
3-(benzimidazol-1-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 131921625) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is COc1c(C)cnc(CNC(=O)C(C)Cn2cncn2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VRSCSGRJDLLQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-5-17-13(12(3)14(10)22-4)6-18-15(21)11(2)7-20-9-16-8-19-20/h5,8-9,11H,6-7H2,1-4H3,(H,18,21).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 303.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 131921625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).