N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide

C20H27N3O2 — CID 70316855

IUPACN-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1C[C@H](O)CCCc1ccccn1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)23-19(25)17-11-7-13-22-18(17)14-16(24)10-6-9-15-8-4-5-12-21-15/h4-5,7-8,11-13,16,24H,6,9-10,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyHLJIQYAJKRCYEK-MRXNPFEDSA-N
MW341.45 g/mol
LogP2.93
Rot. Bonds7

About N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide

N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide (PubChem CID 70316855) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide
PubChem CID70316855
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1C[C@H](O)CCCc1ccccn1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)23-19(25)17-11-7-13-22-18(17)14-16(24)10-6-9-15-8-4-5-12-21-15/h4-5,7-8,11-13,16,24H,6,9-10,14H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyHLJIQYAJKRCYEK-MRXNPFEDSA-N
XLogP2.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide with MolForge

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Related Compounds

(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66639462
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
2-[3-amino-4-[5-fluoro-2-(trifluoromethyl)phenyl]-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565307
1-(3-methyl-2-pyridinyl)-5-phenylpentan-2-ol
CID 66459697
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
2-hydroxy-7-pyridin-2-ylheptanoic acid
CID 175122940
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2-(2,7-dimethyl-10-pyridin-2-yldecyl)pyridine
CID 163557685
4-pyridin-2-ylbutane-1,1-dithiol
CID 175139494
2-(5,5-dimethylhexyl)pyridine
CID 151657269
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide (CID 70316855) is N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cccnc1C[C@H](O)CCCc1ccccn1.
What is the InChIKey of N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide?
The InChIKey is HLJIQYAJKRCYEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)23-19(25)17-11-7-13-22-18(17)14-16(24)10-6-9-15-8-4-5-12-21-15/h4-5,7-8,11-13,16,24H,6,9-10,14H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide?
N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide is sourced from PubChem (CID 70316855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).