N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide

C17H28N4O2 — CID 111539069

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H28N4O2/c1-13(2)20-16-15(5-3-8-18-16)17(23)19-9-4-10-21-11-6-14(22)7-12-21/h3,5,8,13-14,22H,4,6-7,9-12H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyLCLMPJFWCVTGEZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.48
Rot. Bonds7

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 111539069) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID111539069
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H28N4O2/c1-13(2)20-16-15(5-3-8-18-16)17(23)19-9-4-10-21-11-6-14(22)7-12-21/h3,5,8,13-14,22H,4,6-7,9-12H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyLCLMPJFWCVTGEZ-UHFFFAOYSA-N
XLogP1.48
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111540624
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500520
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 111539069) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)NCCCN1CCC(O)CC1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is LCLMPJFWCVTGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)20-16-15(5-3-8-18-16)17(23)19-9-4-10-21-11-6-14(22)7-12-21/h3,5,8,13-14,22H,4,6-7,9-12H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 111539069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).