N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide

C15H21N5O — CID 135096608

IUPACN-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCCCc2cnn(C)c2)nc1
InChIInChI=1S/C15H21N5O/c1-3-16-15(21)13-6-7-14(18-10-13)17-8-4-5-12-9-19-20(2)11-12/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,21)(H,17,18)
InChIKeySHBJNSSNCTWENJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.61
Rot. Bonds7

About N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide

N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide (PubChem CID 135096608) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
PubChem CID135096608
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCCCc2cnn(C)c2)nc1
InChIInChI=1S/C15H21N5O/c1-3-16-15(21)13-6-7-14(18-10-13)17-8-4-5-12-9-19-20(2)11-12/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,21)(H,17,18)
InChIKeySHBJNSSNCTWENJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-3-carboxamide
CID 80688877
N-ethyl-6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carboxamide
CID 133338368
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176856
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
CID 122047981
4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80690560
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
N-[3-(1-methylpyrazol-4-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91770397
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80689197

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide (CID 135096608) is N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide is CCNC(=O)c1ccc(NCCCc2cnn(C)c2)nc1.
What is the InChIKey of N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
The InChIKey is SHBJNSSNCTWENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-16-15(21)13-6-7-14(18-10-13)17-8-4-5-12-9-19-20(2)11-12/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of N-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
N-ethyl-6-[3-(1-methylpyrazol-4-yl)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-ethyl-6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 135096608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).