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

C19H25N3O2 — CID 109203465

IUPAC4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H25N3O2/c1-4-14(2)22-16-10-12-20-18(13-16)19(23)21-11-9-15-5-7-17(24-3)8-6-15/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFICMKPXECAGZBQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.27
Rot. Bonds8

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

4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109203465) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109203465
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H25N3O2/c1-4-14(2)22-16-10-12-20-18(13-16)19(23)21-11-9-15-5-7-17(24-3)8-6-15/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFICMKPXECAGZBQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109203453
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210055
4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214551
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202076

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109203465) is 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is CCC(C)Nc1ccnc(C(=O)NCCc2ccc(OC)cc2)c1.
What is the InChIKey of 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is FICMKPXECAGZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-14(2)22-16-10-12-20-18(13-16)19(23)21-11-9-15-5-7-17(24-3)8-6-15/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109203465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).