N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide

C15H19N5O — CID 71708363

IUPACN-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
SMILESO=C(CCCCCNc1ncccn1)Nc1ccncc1
InChIInChI=1S/C15H19N5O/c21-14(20-13-6-11-16-12-7-13)5-2-1-3-8-17-15-18-9-4-10-19-15/h4,6-7,9-12H,1-3,5,8H2,(H,16,20,21)(H,17,18,19)
InChIKeyZWRXGNVEGLESQR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds8

About N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide

N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide (PubChem CID 71708363) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide.

Molecular Properties

Compound NameN-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
PubChem CID71708363
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
SMILESO=C(CCCCCNc1ncccn1)Nc1ccncc1
InChIInChI=1S/C15H19N5O/c21-14(20-13-6-11-16-12-7-13)5-2-1-3-8-17-15-18-9-4-10-19-15/h4,6-7,9-12H,1-3,5,8H2,(H,16,20,21)(H,17,18,19)
InChIKeyZWRXGNVEGLESQR-UHFFFAOYSA-N
XLogP2.48
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide
CID 71707606
[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
CID 44666570
7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
CID 119873088
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-(pyrimidin-2-ylamino)hexanamide
CID 71708468
6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
CID 166835235
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-yltetradecanamide
CID 4052382
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
6-formamido-N-phenylhexanamide
CID 156509815
N-[2-(4-chloroanilino)-2-oxoethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 47070475
3-(2-methylanilino)-N-pyridin-4-ylpropanamide
CID 47111734

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide?
The IUPAC name of N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide (CID 71708363) is N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide.
What is the SMILES notation for N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide?
The canonical SMILES for N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide is O=C(CCCCCNc1ncccn1)Nc1ccncc1.
What is the InChIKey of N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide?
The InChIKey is ZWRXGNVEGLESQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-14(20-13-6-11-16-12-7-13)5-2-1-3-8-17-15-18-9-4-10-19-15/h4,6-7,9-12H,1-3,5,8H2,(H,16,20,21)(H,17,18,19).
What are the key properties of N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide?
N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide has a molecular weight of 285.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide is sourced from PubChem (CID 71708363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).