2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide

C16H21N5O3 — CID 140525695

IUPAC2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
SMILESCn1ncnc1COc1ccc(C(N)=O)c(C[C@](C)(O)C2CC2)n1
InChIInChI=1S/C16H21N5O3/c1-16(23,10-3-4-10)7-12-11(15(17)22)5-6-14(20-12)24-8-13-18-9-19-21(13)2/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H2,17,22)/t16-/m0/s1
InChIKeyIXEVNJWDSGXJAL-INIZCTEOSA-N
MW331.38 g/mol
LogP0.59
Rot. Bonds7

About 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide

2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide (PubChem CID 140525695) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
PubChem CID140525695
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
SMILESCn1ncnc1COc1ccc(C(N)=O)c(C[C@](C)(O)C2CC2)n1
InChIInChI=1S/C16H21N5O3/c1-16(23,10-3-4-10)7-12-11(15(17)22)5-6-14(20-12)24-8-13-18-9-19-21(13)2/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H2,17,22)/t16-/m0/s1
InChIKeyIXEVNJWDSGXJAL-INIZCTEOSA-N
XLogP0.59
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 106956246
2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
CID 172765123
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 106489590
1-[2-(aminomethyl)cyclohexyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116584681
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81010248
1-amino-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66001850
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 81014034
diethyl 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanedioate
CID 103973062
(2-methyl-1,2,4-triazol-3-yl)methyl 4-methylbenzoate
CID 71849931
ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate
CID 65416220
5-(cyclopentyloxymethyl)-1-methyl-1,2,4-triazole
CID 155941749

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide (CID 140525695) is 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide is Cn1ncnc1COc1ccc(C(N)=O)c(C[C@](C)(O)C2CC2)n1.
What is the InChIKey of 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is IXEVNJWDSGXJAL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-16(23,10-3-4-10)7-12-11(15(17)22)5-6-14(20-12)24-8-13-18-9-19-21(13)2/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H2,17,22)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 140525695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).