N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide

C16H22N6O2 — CID 118743628

IUPACN,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
SMILESCN(C)C(=O)N1Cc2nnn(C)c2C(COCc2cccnc2)C1
InChIInChI=1S/C16H22N6O2/c1-20(2)16(23)22-8-13(15-14(9-22)18-19-21(15)3)11-24-10-12-5-4-6-17-7-12/h4-7,13H,8-11H2,1-3H3
InChIKeySPBGEFSOTADQSN-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.01
Rot. Bonds4

About N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide

N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 118743628) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
PubChem CID118743628
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
SMILESCN(C)C(=O)N1Cc2nnn(C)c2C(COCc2cccnc2)C1
InChIInChI=1S/C16H22N6O2/c1-20(2)16(23)22-8-13(15-14(9-22)18-19-21(15)3)11-24-10-12-5-4-6-17-7-12/h4-7,13H,8-11H2,1-3H3
InChIKeySPBGEFSOTADQSN-UHFFFAOYSA-N
XLogP1.01
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{2-[4-(6-methoxypyridin-3-yl)-1H-1,2,3-triazol-1-yl]ethyl}-4,6-dimethylpyrimidin-2(1H)-one
CID 72880002
1-[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739496
1-[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118739575
2-ethoxy-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 118743588
1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118745775
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118746098
2-(dimethylamino)-1-[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 118746147
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118746388
7-(cyclopropylmethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118746445
1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118746714
N,N-dimethyl-2-[[1-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
CID 118747047
N,N-dimethyl-2-[[1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
CID 118747049

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide (CID 118743628) is N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide is CN(C)C(=O)N1Cc2nnn(C)c2C(COCc2cccnc2)C1.
What is the InChIKey of N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is SPBGEFSOTADQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20(2)16(23)22-8-13(15-14(9-22)18-19-21(15)3)11-24-10-12-5-4-6-17-7-12/h4-7,13H,8-11H2,1-3H3.
What are the key properties of N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide?
N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 118743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).