N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide

C19H27N5O2 — CID 110118777

IUPACN-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCCCn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(C)n1
InChIInChI=1S/C19H27N5O2/c1-3-4-9-24-11-15(14(2)22-24)10-23-12-17(18(25)13-23)21-19(26)16-7-5-6-8-20-16/h5-8,11,17-18,25H,3-4,9-10,12-13H2,1-2H3,(H,21,26)/t17-,18-/m1/s1
InChIKeyUYRADGSTPDCKTQ-QZTJIDSGSA-N
MW357.46 g/mol
LogP1.36
Rot. Bonds7

About N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide

N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 110118777) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID110118777
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCCCn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(C)n1
InChIInChI=1S/C19H27N5O2/c1-3-4-9-24-11-15(14(2)22-24)10-23-12-17(18(25)13-23)21-19(26)16-7-5-6-8-20-16/h5-8,11,17-18,25H,3-4,9-10,12-13H2,1-2H3,(H,21,26)/t17-,18-/m1/s1
InChIKeyUYRADGSTPDCKTQ-QZTJIDSGSA-N
XLogP1.36
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 110133329
N-[(3R,4R)-3-hydroxy-1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70783420
N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345
N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70753150
N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133360
(3R,4R)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 29022232
N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133335
N-[(3R,4R)-4-hydroxy-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 110133407
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 70751055

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide (CID 110118777) is N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide is CCCCn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(C)n1.
What is the InChIKey of N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is UYRADGSTPDCKTQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-4-9-24-11-15(14(2)22-24)10-23-12-17(18(25)13-23)21-19(26)16-7-5-6-8-20-16/h5-8,11,17-18,25H,3-4,9-10,12-13H2,1-2H3,(H,21,26)/t17-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 110118777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).