N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide

C19H25N3O — CID 109239083

IUPACN-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-19(2,3)22-18(23)16-12-17(14-20-13-16)21-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-14,21H,7,10-11H2,1-3H3,(H,22,23)
InChIKeyDFPVBYFHDRDHHA-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.65
Rot. Bonds6

About N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide

N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109239083) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109239083
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-19(2,3)22-18(23)16-12-17(14-20-13-16)21-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-14,21H,7,10-11H2,1-3H3,(H,22,23)
InChIKeyDFPVBYFHDRDHHA-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.65
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

N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
methyl 4-[[5-(3-phenylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109239144
N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239101
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109233806
N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109237741
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109236652
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109239083) is N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(NCCCc2ccccc2)c1.
What is the InChIKey of N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is DFPVBYFHDRDHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(2,3)22-18(23)16-12-17(14-20-13-16)21-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-14,21H,7,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide?
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).