N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide

C14H15N5O2 — CID 91704077

IUPACN-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
SMILESO=CNNc1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N5O2/c20-10-17-19-13-5-3-12(4-6-13)18-14(21)16-9-11-2-1-7-15-8-11/h1-8,10,19H,9H2,(H,17,20)(H2,16,18,21)
InChIKeyBNGBDLXEZOFHSN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.48
Rot. Bonds6

About N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide

N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide (PubChem CID 91704077) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
PubChem CID91704077
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
SMILESO=CNNc1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N5O2/c20-10-17-19-13-5-3-12(4-6-13)18-14(21)16-9-11-2-1-7-15-8-11/h1-8,10,19H,9H2,(H,17,20)(H2,16,18,21)
InChIKeyBNGBDLXEZOFHSN-UHFFFAOYSA-N
XLogP1.48
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
1-[4-[hydroxy(oxido)amino]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 163182359
N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 52541173
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-(pyridin-3-ylmethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 67081143
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
1-[4-(3,4-dimethylphenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea;formamide
CID 174859063

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide?
The IUPAC name of N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide (CID 91704077) is N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide.
What is the SMILES notation for N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide?
The canonical SMILES for N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide is O=CNNc1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide?
The InChIKey is BNGBDLXEZOFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-10-17-19-13-5-3-12(4-6-13)18-14(21)16-9-11-2-1-7-15-8-11/h1-8,10,19H,9H2,(H,17,20)(H2,16,18,21).
What are the key properties of N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide?
N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide has a molecular weight of 285.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide is sourced from PubChem (CID 91704077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).