N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide

C15H21N5O — CID 80691532

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C15H21N5O/c1-3-7-16-14-13(5-4-8-17-14)15(21)18-9-6-12-10-19-20(2)11-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyHXOREHXHDUWRDV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.61
Rot. Bonds7

About N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide (PubChem CID 80691532) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
PubChem CID80691532
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C15H21N5O/c1-3-7-16-14-13(5-4-8-17-14)15(21)18-9-6-12-10-19-20(2)11-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyHXOREHXHDUWRDV-UHFFFAOYSA-N
XLogP1.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385645
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 105070790

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide (CID 80691532) is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCCc1cnn(C)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is HXOREHXHDUWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-7-16-14-13(5-4-8-17-14)15(21)18-9-6-12-10-19-20(2)11-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,21).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 80691532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).