N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide

C19H25N3O2 — CID 109165735

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(NCC(C)C)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-14(2)13-22-18-12-16(9-11-20-18)19(23)21-10-8-15-4-6-17(24-3)7-5-15/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBQWILXQWNLSFEO-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.13
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide (PubChem CID 109165735) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
PubChem CID109165735
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(NCC(C)C)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-14(2)13-22-18-12-16(9-11-20-18)19(23)21-10-8-15-4-6-17(24-3)7-5-15/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBQWILXQWNLSFEO-UHFFFAOYSA-N
XLogP3.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 74243419
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide (CID 109165735) is N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2ccnc(NCC(C)C)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
The InChIKey is BQWILXQWNLSFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)13-22-18-12-16(9-11-20-18)19(23)21-10-8-15-4-6-17(24-3)7-5-15/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109165735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).