4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide

C14H14ClN5O2 — CID 86819891

IUPAC4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC(=O)NCc2ccc(N)nc2)cc1Cl
InChIInChI=1S/C14H14ClN5O2/c15-11-5-9(2-3-10(11)13(17)21)20-14(22)19-7-8-1-4-12(16)18-6-8/h1-6H,7H2,(H2,16,18)(H2,17,21)(H2,19,20,22)
InChIKeyFDDKZKLLBPKPPD-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.74
Rot. Bonds4

About 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide

4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide (PubChem CID 86819891) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
PubChem CID86819891
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC(=O)NCc2ccc(N)nc2)cc1Cl
InChIInChI=1S/C14H14ClN5O2/c15-11-5-9(2-3-10(11)13(17)21)20-14(22)19-7-8-1-4-12(16)18-6-8/h1-6H,7H2,(H2,16,18)(H2,17,21)(H2,19,20,22)
InChIKeyFDDKZKLLBPKPPD-UHFFFAOYSA-N
XLogP1.74
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-amino-3-pyridinyl)methyl]-3-(4-bromophenyl)urea
CID 134813904
2-chloro-4-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61398635
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867663
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
5-(pyridin-4-ylmethylcarbamoylamino)pyridine-2-carboxamide
CID 135223514
1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 122194201
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166319426
1-(2-amino-2-sulfanylideneethyl)-3-(3,4-dichlorophenyl)urea
CID 61127485
2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide
CID 173090852

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide?
The IUPAC name of 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide (CID 86819891) is 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide.
What is the SMILES notation for 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide?
The canonical SMILES for 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide is NC(=O)c1ccc(NC(=O)NCc2ccc(N)nc2)cc1Cl.
What is the InChIKey of 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide?
The InChIKey is FDDKZKLLBPKPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c15-11-5-9(2-3-10(11)13(17)21)20-14(22)19-7-8-1-4-12(16)18-6-8/h1-6H,7H2,(H2,16,18)(H2,17,21)(H2,19,20,22).
What are the key properties of 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide?
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide has a molecular weight of 319.75 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide is sourced from PubChem (CID 86819891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).