3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide

C14H19N5O2 — CID 86697749

IUPAC3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cn(CCCO)nc2C)ccc1N
InChIInChI=1S/C14H19N5O2/c1-9-10(8-19(18-9)6-3-7-20)12-5-4-11(15)13(17-12)14(21)16-2/h4-5,8,20H,3,6-7,15H2,1-2H3,(H,16,21)
InChIKeyDNYRMMBUYBNWQW-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.58
Rot. Bonds5

About 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide

3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 86697749) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID86697749
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cn(CCCO)nc2C)ccc1N
InChIInChI=1S/C14H19N5O2/c1-9-10(8-19(18-9)6-3-7-20)12-5-4-11(15)13(17-12)14(21)16-2/h4-5,8,20H,3,6-7,15H2,1-2H3,(H,16,21)
InChIKeyDNYRMMBUYBNWQW-UHFFFAOYSA-N
XLogP0.58
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide (CID 86697749) is 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1nc(-c2cn(CCCO)nc2C)ccc1N.
What is the InChIKey of 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is DNYRMMBUYBNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-10(8-19(18-9)6-3-7-20)12-5-4-11(15)13(17-12)14(21)16-2/h4-5,8,20H,3,6-7,15H2,1-2H3,(H,16,21).
What are the key properties of 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide?
3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 86697749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).