N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide

C18H21N3O3 — CID 38661659

IUPACN-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-3-4-7-17(22)20-14-8-9-15(16(11-14)24-2)21-18(23)13-6-5-10-19-12-13/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFIGOKKYHAQHSQC-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.47
Rot. Bonds7

About N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 38661659) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
PubChem CID38661659
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-3-4-7-17(22)20-14-8-9-15(16(11-14)24-2)21-18(23)13-6-5-10-19-12-13/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFIGOKKYHAQHSQC-UHFFFAOYSA-N
XLogP3.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55760803
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide (CID 38661659) is N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide is CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)c(OC)c1.
What is the InChIKey of N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is FIGOKKYHAQHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-4-7-17(22)20-14-8-9-15(16(11-14)24-2)21-18(23)13-6-5-10-19-12-13/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 38661659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).