[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea

C13H14FN5O — CID 67981379

IUPAC[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
InChIInChI=1S/C13H14FN5O/c14-9-3-1-8(2-4-9)7-17-11-6-5-10(12(15)19-11)18-13(16)20/h1-6H,7H2,(H3,15,17,19)(H3,16,18,20)
InChIKeyKAWPADHSAJUKAT-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.91
Rot. Bonds4

About [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea

[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea (PubChem CID 67981379) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea.

Molecular Properties

Compound Name[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
PubChem CID67981379
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
InChIInChI=1S/C13H14FN5O/c14-9-3-1-8(2-4-9)7-17-11-6-5-10(12(15)19-11)18-13(16)20/h1-6H,7H2,(H3,15,17,19)(H3,16,18,20)
InChIKeyKAWPADHSAJUKAT-UHFFFAOYSA-N
XLogP1.91
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-bromobutanamide
CID 110187575
2-chloroethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261412
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 110186504
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 110187236
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 11296955
phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
CID 110186262
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
3-bromopropyl N-[2-amino-6-(benzylamino)-3-pyridinyl]carbamate
CID 110187378

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea?
The IUPAC name of [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea (CID 67981379) is [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea.
What is the SMILES notation for [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea?
The canonical SMILES for [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea is NC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.
What is the InChIKey of [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea?
The InChIKey is KAWPADHSAJUKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c14-9-3-1-8(2-4-9)7-17-11-6-5-10(12(15)19-11)18-13(16)20/h1-6H,7H2,(H3,15,17,19)(H3,16,18,20).
What are the key properties of [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea?
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea has a molecular weight of 275.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea is sourced from PubChem (CID 67981379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).