6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

C21H25N5O — CID 48656563

IUPAC6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cn1
InChIInChI=1S/C21H25N5O/c1-3-25(4-2)20-11-10-19(15-22-20)21(27)23-14-17-6-8-18(9-7-17)16-26-13-5-12-24-26/h5-13,15H,3-4,14,16H2,1-2H3,(H,23,27)
InChIKeyKOORXLNQXRGZSK-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.10
Rot. Bonds8

About 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 48656563) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID48656563
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cn1
InChIInChI=1S/C21H25N5O/c1-3-25(4-2)20-11-10-19(15-22-20)21(27)23-14-17-6-8-18(9-7-17)16-26-13-5-12-24-26/h5-13,15H,3-4,14,16H2,1-2H3,(H,23,27)
InChIKeyKOORXLNQXRGZSK-UHFFFAOYSA-N
XLogP3.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 94176904
(2R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 94176903
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
6-(dipropylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158139
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 48656563) is 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cn1.
What is the InChIKey of 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KOORXLNQXRGZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-25(4-2)20-11-10-19(15-22-20)21(27)23-14-17-6-8-18(9-7-17)16-26-13-5-12-24-26/h5-13,15H,3-4,14,16H2,1-2H3,(H,23,27).
What are the key properties of 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 48656563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).