N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide

C17H21N3O — CID 43507728

IUPACN-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
SMILESCCCNC(C)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H21N3O/c1-3-11-18-13(2)14-7-9-15(10-8-14)20-17(21)16-6-4-5-12-19-16/h4-10,12-13,18H,3,11H2,1-2H3,(H,20,21)
InChIKeyAEYCFLNARACHDO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.39
Rot. Bonds6

About N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide

N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide (PubChem CID 43507728) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
PubChem CID43507728
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
SMILESCCCNC(C)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H21N3O/c1-3-11-18-13(2)14-7-9-15(10-8-14)20-17(21)16-6-4-5-12-19-16/h4-10,12-13,18H,3,11H2,1-2H3,(H,20,21)
InChIKeyAEYCFLNARACHDO-UHFFFAOYSA-N
XLogP3.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-dodecoxyethoxy)ethyl N-[1-[4-(pyridine-2-carbonylamino)phenyl]ethyl]carbamate
CID 139764701
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide (CID 43507728) is N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide is CCCNC(C)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide?
The InChIKey is AEYCFLNARACHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-11-18-13(2)14-7-9-15(10-8-14)20-17(21)16-6-4-5-12-19-16/h4-10,12-13,18H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide?
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 43507728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).