6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide

C19H23ClN4O2 — CID 166835235

IUPAC6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
SMILESO=C(CCCCCNC(=O)NCc1ccc(Cl)cc1)Nc1ccncc1
InChIInChI=1S/C19H23ClN4O2/c20-16-7-5-15(6-8-16)14-23-19(26)22-11-3-1-2-4-18(25)24-17-9-12-21-13-10-17/h5-10,12-13H,1-4,11,14H2,(H,21,24,25)(H2,22,23,26)
InChIKeyKNCKAQDEFUBDRB-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.73
Rot. Bonds9

About 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide

6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide (PubChem CID 166835235) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
PubChem CID166835235
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
SMILESO=C(CCCCCNC(=O)NCc1ccc(Cl)cc1)Nc1ccncc1
InChIInChI=1S/C19H23ClN4O2/c20-16-7-5-15(6-8-16)14-23-19(26)22-11-3-1-2-4-18(25)24-17-9-12-21-13-10-17/h5-10,12-13H,1-4,11,14H2,(H,21,24,25)(H2,22,23,26)
InChIKeyKNCKAQDEFUBDRB-UHFFFAOYSA-N
XLogP3.73
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
CID 119873088
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methylcarbamoylamino]butanamide
CID 60544636
[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
CID 44666570
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
trans-(1R,2R)-2-(4-chlorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95299100
N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
CID 71708363
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
1-[3-(4-chlorophenyl)propyl]-3-pyridin-4-ylthiourea
CID 100673409
N-(4-chlorophenyl)tridecanamide
CID 4195215
1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 53498818

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide?
The IUPAC name of 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide (CID 166835235) is 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide is O=C(CCCCCNC(=O)NCc1ccc(Cl)cc1)Nc1ccncc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide?
The InChIKey is KNCKAQDEFUBDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-16-7-5-15(6-8-16)14-23-19(26)22-11-3-1-2-4-18(25)24-17-9-12-21-13-10-17/h5-10,12-13H,1-4,11,14H2,(H,21,24,25)(H2,22,23,26).
What are the key properties of 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide?
6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide has a molecular weight of 374.87 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide is sourced from PubChem (CID 166835235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).