4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide

C12H19N3O2 — CID 62347462

IUPAC4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide
SMILESCC(C)NCCCOc1ccnc(C(N)=O)c1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-5-3-7-17-10-4-6-15-11(8-10)12(13)16/h4,6,8-9,14H,3,5,7H2,1-2H3,(H2,13,16)
InChIKeyAOQABGYTNKHALL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds7

About 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide

4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide (PubChem CID 62347462) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide
PubChem CID62347462
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide
SMILESCC(C)NCCCOc1ccnc(C(N)=O)c1
InChIInChI=1S/C12H19N3O2/c1-9(2)14-5-3-7-17-10-4-6-15-11(8-10)12(13)16/h4,6,8-9,14H,3,5,7H2,1-2H3,(H2,13,16)
InChIKeyAOQABGYTNKHALL-UHFFFAOYSA-N
XLogP0.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204612
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
1-[5-[3-(propan-2-ylamino)propoxy]-2-pyridinyl]-2-sulfanylpropan-1-one
CID 146526537
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
3-(2-fluorophenoxy)-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082658
4-nitro-3-[3-(propan-2-ylamino)propoxy]benzamide
CID 82988528
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
4-decoxypyridine-2-carboxylic acid
CID 152529644
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
4-[3-(propan-2-ylamino)propoxymethyl]benzamide
CID 62343389

Frequently Asked Questions

What is the IUPAC name of 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide (CID 62347462) is 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide is CC(C)NCCCOc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide?
The InChIKey is AOQABGYTNKHALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)14-5-3-7-17-10-4-6-15-11(8-10)12(13)16/h4,6,8-9,14H,3,5,7H2,1-2H3,(H2,13,16).
What are the key properties of 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide?
4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(propan-2-ylamino)propoxy]pyridine-2-carboxamide is sourced from PubChem (CID 62347462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).