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

C13H17N5O — CID 133443201

IUPAC4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
SMILESCn1cc(CCCNc2ccncc2C(N)=O)cn1
InChIInChI=1S/C13H17N5O/c1-18-9-10(7-17-18)3-2-5-16-12-4-6-15-8-11(12)13(14)19/h4,6-9H,2-3,5H2,1H3,(H2,14,19)(H,15,16)
InChIKeyDTHFWTLBQFOHHL-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds6

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

4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide (PubChem CID 133443201) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
PubChem CID133443201
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
SMILESCn1cc(CCCNc2ccncc2C(N)=O)cn1
InChIInChI=1S/C13H17N5O/c1-18-9-10(7-17-18)3-2-5-16-12-4-6-15-8-11(12)13(14)19/h4,6-9H,2-3,5H2,1H3,(H2,14,19)(H,15,16)
InChIKeyDTHFWTLBQFOHHL-UHFFFAOYSA-N
XLogP0.96
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.96
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-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
4-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxamide
CID 133443364
5-chloro-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzenecarbothioamide
CID 80683202
4-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 81240912
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
3-amino-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80680600
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 105070790
4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide
CID 133471398
4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61350597
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753
5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide (CID 133443201) is 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide is Cn1cc(CCCNc2ccncc2C(N)=O)cn1.
What is the InChIKey of 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
The InChIKey is DTHFWTLBQFOHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-9-10(7-17-18)3-2-5-16-12-4-6-15-8-11(12)13(14)19/h4,6-9H,2-3,5H2,1H3,(H2,14,19)(H,15,16).
What are the key properties of 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide?
4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133443201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).