4-(6-hydroxyhexylamino)pyridine-2-carboxamide

C12H19N3O2 — CID 104880508

IUPAC4-(6-hydroxyhexylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCCCCCO)ccn1
InChIInChI=1S/C12H19N3O2/c13-12(17)11-9-10(5-7-15-11)14-6-3-1-2-4-8-16/h5,7,9,16H,1-4,6,8H2,(H2,13,17)(H,14,15)
InChIKeyCUVCVBHSVIKQQH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.15
Rot. Bonds8

About 4-(6-hydroxyhexylamino)pyridine-2-carboxamide

4-(6-hydroxyhexylamino)pyridine-2-carboxamide (PubChem CID 104880508) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)pyridine-2-carboxamide
PubChem CID104880508
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(6-hydroxyhexylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCCCCCCO)ccn1
InChIInChI=1S/C12H19N3O2/c13-12(17)11-9-10(5-7-15-11)14-6-3-1-2-4-8-16/h5,7,9,16H,1-4,6,8H2,(H2,13,17)(H,14,15)
InChIKeyCUVCVBHSVIKQQH-UHFFFAOYSA-N
XLogP1.15
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
CID 60980958
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide
CID 104880103
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
CID 133313933
5-[(2-amino-4-pyridinyl)amino]pentanamide
CID 106241510
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)pyridine-2-carboxamide?
The IUPAC name of 4-(6-hydroxyhexylamino)pyridine-2-carboxamide (CID 104880508) is 4-(6-hydroxyhexylamino)pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-hydroxyhexylamino)pyridine-2-carboxamide?
The canonical SMILES for 4-(6-hydroxyhexylamino)pyridine-2-carboxamide is NC(=O)c1cc(NCCCCCCO)ccn1.
What is the InChIKey of 4-(6-hydroxyhexylamino)pyridine-2-carboxamide?
The InChIKey is CUVCVBHSVIKQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-12(17)11-9-10(5-7-15-11)14-6-3-1-2-4-8-16/h5,7,9,16H,1-4,6,8H2,(H2,13,17)(H,14,15).
What are the key properties of 4-(6-hydroxyhexylamino)pyridine-2-carboxamide?
4-(6-hydroxyhexylamino)pyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104880508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).