cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

C19H23FN4O2 — CID 110186504

IUPACcyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OC1CCCCC1
InChIInChI=1S/C19H23FN4O2/c20-14-8-6-13(7-9-14)12-22-17-11-10-16(18(21)24-17)23-19(25)26-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,23,25)(H3,21,22,24)
InChIKeyRVPYKMQCMDALNT-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.30
Rot. Bonds5

About cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 110186504) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID110186504
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Namecyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OC1CCCCC1
InChIInChI=1S/C19H23FN4O2/c20-14-8-6-13(7-9-14)12-22-17-11-10-16(18(21)24-17)23-19(25)26-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,23,25)(H3,21,22,24)
InChIKeyRVPYKMQCMDALNT-UHFFFAOYSA-N
XLogP4.30
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
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
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-bromobutanamide
CID 110187575
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
cyclopentyl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
CID 25030692
1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 110187236
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
CID 110186262
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (CID 110186504) is cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is RVPYKMQCMDALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-14-8-6-13(7-9-14)12-22-17-11-10-16(18(21)24-17)23-19(25)26-15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,23,25)(H3,21,22,24).
What are the key properties of cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 358.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110186504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).