N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide

C18H22N4O — CID 113027864

IUPACN-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccncc2)cn1)C1CCCCC1
InChIInChI=1S/C18H22N4O/c23-18(15-4-2-1-3-5-15)22-17-7-6-16(13-21-17)20-12-14-8-10-19-11-9-14/h6-11,13,15,20H,1-5,12H2,(H,21,22,23)
InChIKeyIMKAPNNNNFIUPF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.61
Rot. Bonds5

About N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide

N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113027864) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113027864
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccncc2)cn1)C1CCCCC1
InChIInChI=1S/C18H22N4O/c23-18(15-4-2-1-3-5-15)22-17-7-6-16(13-21-17)20-12-14-8-10-19-11-9-14/h6-11,13,15,20H,1-5,12H2,(H,21,22,23)
InChIKeyIMKAPNNNNFIUPF-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113027861
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
4-amino-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 39187538
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280251

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide (CID 113027864) is N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(NCc2ccncc2)cn1)C1CCCCC1.
What is the InChIKey of N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is IMKAPNNNNFIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(15-4-2-1-3-5-15)22-17-7-6-16(13-21-17)20-12-14-8-10-19-11-9-14/h6-11,13,15,20H,1-5,12H2,(H,21,22,23).
What are the key properties of N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide?
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113027864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).