N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide

C14H16N4O2 — CID 28901850

IUPACN-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCCCO)nc1)c1cccnc1
InChIInChI=1S/C14H16N4O2/c19-8-2-7-16-13-5-4-12(10-17-13)18-14(20)11-3-1-6-15-9-11/h1,3-6,9-10,19H,2,7-8H2,(H,16,17)(H,18,20)
InChIKeyJYQXWKQQTGDFRY-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.52
Rot. Bonds6

About N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide

N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 28901850) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID28901850
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCCCO)nc1)c1cccnc1
InChIInChI=1S/C14H16N4O2/c19-8-2-7-16-13-5-4-12(10-17-13)18-14(20)11-3-1-6-15-9-11/h1,3-6,9-10,19H,2,7-8H2,(H,16,17)(H,18,20)
InChIKeyJYQXWKQQTGDFRY-UHFFFAOYSA-N
XLogP1.52
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.52
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-[6-(2-phenylethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 113013043
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722
2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
CID 28901836
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
CID 113015856
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(5-hydroxypentylamino)-3-pyridinyl]-4-nitrobenzamide
CID 28901397
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
N-[6-(5-hydroxypentylamino)-3-pyridinyl]furan-2-carboxamide
CID 28901222
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide (CID 28901850) is N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(NCCCO)nc1)c1cccnc1.
What is the InChIKey of N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is JYQXWKQQTGDFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-8-2-7-16-13-5-4-12(10-17-13)18-14(20)11-3-1-6-15-9-11/h1,3-6,9-10,19H,2,7-8H2,(H,16,17)(H,18,20).
What are the key properties of N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide?
N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 28901850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).