6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide

C19H21N7O — CID 110089721

IUPAC6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide
SMILESCn1cc(CN2CCCC2c2cccc(C(=O)Nc3cnccn3)n2)cn1
InChIInChI=1S/C19H21N7O/c1-25-12-14(10-22-25)13-26-9-3-6-17(26)15-4-2-5-16(23-15)19(27)24-18-11-20-7-8-21-18/h2,4-5,7-8,10-12,17H,3,6,9,13H2,1H3,(H,21,24,27)
InChIKeyHSXIKYKJVFWQGE-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.19
Rot. Bonds5

About 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide

6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide (PubChem CID 110089721) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide
PubChem CID110089721
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide
SMILESCn1cc(CN2CCCC2c2cccc(C(=O)Nc3cnccn3)n2)cn1
InChIInChI=1S/C19H21N7O/c1-25-12-14(10-22-25)13-26-9-3-6-17(26)15-4-2-5-16(23-15)19(27)24-18-11-20-7-8-21-18/h2,4-5,7-8,10-12,17H,3,6,9,13H2,1H3,(H,21,24,27)
InChIKeyHSXIKYKJVFWQGE-UHFFFAOYSA-N
XLogP2.19
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide
CID 124953425
6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide
CID 95816042
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 110095459
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
6-[(2R)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124980249
4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
CID 95837810
(3aR,5S,7aR)-1-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97387748
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594
2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 110254681
N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125014801

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide (CID 110089721) is 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide is Cn1cc(CN2CCCC2c2cccc(C(=O)Nc3cnccn3)n2)cn1.
What is the InChIKey of 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide?
The InChIKey is HSXIKYKJVFWQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-25-12-14(10-22-25)13-26-9-3-6-17(26)15-4-2-5-16(23-15)19(27)24-18-11-20-7-8-21-18/h2,4-5,7-8,10-12,17H,3,6,9,13H2,1H3,(H,21,24,27).
What are the key properties of 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide?
6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 110089721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).