N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

C19H27N5O2 — CID 70788710

IUPACN-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(CN2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)[nH]n1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)17-9-14(22-23-17)11-24-8-6-15(16(25)12-24)21-18(26)13-5-4-7-20-10-13/h4-5,7,9-10,15-16,25H,6,8,11-12H2,1-3H3,(H,21,26)(H,22,23)/t15-,16-/m1/s1
InChIKeyPJYOXRZAIFNOET-HZPDHXFCSA-N
MW357.46 g/mol
LogP1.47
Rot. Bonds4

About N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 70788710) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
PubChem CID70788710
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(CN2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)[nH]n1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)17-9-14(22-23-17)11-24-8-6-15(16(25)12-24)21-18(26)13-5-4-7-20-10-13/h4-5,7,9-10,15-16,25H,6,8,11-12H2,1-3H3,(H,21,26)(H,22,23)/t15-,16-/m1/s1
InChIKeyPJYOXRZAIFNOET-HZPDHXFCSA-N
XLogP1.47
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (CID 70788710) is N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is CC(C)(C)c1cc(CN2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)[nH]n1.
What is the InChIKey of N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is PJYOXRZAIFNOET-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2,3)17-9-14(22-23-17)11-24-8-6-15(16(25)12-24)21-18(26)13-5-4-7-20-10-13/h4-5,7,9-10,15-16,25H,6,8,11-12H2,1-3H3,(H,21,26)(H,22,23)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70788710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).