N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide

C16H17N3O — CID 28660347

IUPACN-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccncc2)cc1)C1CC1
InChIInChI=1S/C16H17N3O/c20-16(13-1-2-13)19-15-5-3-14(4-6-15)18-11-12-7-9-17-10-8-12/h3-10,13,18H,1-2,11H2,(H,19,20)
InChIKeyOONHIWOMXZCYDR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.04
Rot. Bonds5

About N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide

N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide (PubChem CID 28660347) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
PubChem CID28660347
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccncc2)cc1)C1CC1
InChIInChI=1S/C16H17N3O/c20-16(13-1-2-13)19-15-5-3-14(4-6-15)18-11-12-7-9-17-10-8-12/h3-10,13,18H,1-2,11H2,(H,19,20)
InChIKeyOONHIWOMXZCYDR-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113027861
N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide
CID 110006449
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113027864
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
4-N-(1,3-benzodioxol-5-yl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148941
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
2-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]acetic acid
CID 115150952
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide (CID 28660347) is N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NCc2ccncc2)cc1)C1CC1.
What is the InChIKey of N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is OONHIWOMXZCYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(13-1-2-13)19-15-5-3-14(4-6-15)18-11-12-7-9-17-10-8-12/h3-10,13,18H,1-2,11H2,(H,19,20).
What are the key properties of N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide?
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 28660347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).