N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide

C18H23N3O2 — CID 109223094

IUPACN-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C18H23N3O2/c1-4-9-20-15-10-14(11-19-12-15)18(22)21-16-7-5-6-8-17(16)23-13(2)3/h5-8,10-13,20H,4,9H2,1-3H3,(H,21,22)
InChIKeyVNBSFGBTWVLYMF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.94
Rot. Bonds7

About N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide

N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide (PubChem CID 109223094) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
PubChem CID109223094
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C18H23N3O2/c1-4-9-20-15-10-14(11-19-12-15)18(22)21-16-7-5-6-8-17(16)23-13(2)3/h5-8,10-13,20H,4,9H2,1-3H3,(H,21,22)
InChIKeyVNBSFGBTWVLYMF-UHFFFAOYSA-N
XLogP3.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230003
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231568
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245567
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223106
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide (CID 109223094) is N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide is CCCNc1cncc(C(=O)Nc2ccccc2OC(C)C)c1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide?
The InChIKey is VNBSFGBTWVLYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-9-20-15-10-14(11-19-12-15)18(22)21-16-7-5-6-8-17(16)23-13(2)3/h5-8,10-13,20H,4,9H2,1-3H3,(H,21,22).
What are the key properties of N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide?
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109223094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).