N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

C11H17N3O — CID 4235481

IUPACN-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCC(C)NCCNC(=O)c1cccnc1
InChIInChI=1S/C11H17N3O/c1-9(2)13-6-7-14-11(15)10-4-3-5-12-8-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyBXFSKZAHYDZIRJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.81
Rot. Bonds5

About N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (PubChem CID 4235481) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
PubChem CID4235481
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCC(C)NCCNC(=O)c1cccnc1
InChIInChI=1S/C11H17N3O/c1-9(2)13-6-7-14-11(15)10-4-3-5-12-8-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyBXFSKZAHYDZIRJ-UHFFFAOYSA-N
XLogP0.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (CID 4235481) is N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is CC(C)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is BXFSKZAHYDZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(2)13-6-7-14-11(15)10-4-3-5-12-8-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 4235481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).