N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine

C28H25FN6O — CID 157043478

IUPACN-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine
SMILESCc1ccc(Nc2ccnc3ccc(F)cc23)cc1.Nc1cc(Nc2cccc(NC=O)c2)ccn1
InChIInChI=1S/C16H13FN2.C12H12N4O/c1-11-2-5-13(6-3-11)19-16-8-9-18-15-7-4-12(17)10-14(15)16;13-12-7-11(4-5-14-12)16-10-3-1-2-9(6-10)15-8-17/h2-10H,1H3,(H,18,19);1-8H,(H,15,17)(H3,13,14,16)
InChIKeyKXINBQDCVSHAJZ-UHFFFAOYSA-N
MW480.55 g/mol
LogP6.40
Rot. Bonds6

About N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine

N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine (PubChem CID 157043478) has the molecular formula C28H25FN6O and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine
PubChem CID157043478
Molecular FormulaC28H25FN6O
Molecular Weight480.55 g/mol
Exact Mass480.21
IUPAC NameN-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine
SMILESCc1ccc(Nc2ccnc3ccc(F)cc23)cc1.Nc1cc(Nc2cccc(NC=O)c2)ccn1
InChIInChI=1S/C16H13FN2.C12H12N4O/c1-11-2-5-13(6-3-11)19-16-8-9-18-15-7-4-12(17)10-14(15)16;13-12-7-11(4-5-14-12)16-10-3-1-2-9(6-10)15-8-17/h2-10H,1H3,(H,18,19);1-8H,(H,15,17)(H3,13,14,16)
InChIKeyKXINBQDCVSHAJZ-UHFFFAOYSA-N
XLogP6.40
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 56.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-diazaspiro[3.3]heptan-2-yl)phenyl]formamide;6-fluoro-N-(3-methylphenyl)quinolin-4-amine
CID 157042912
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
CID 157043714
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-2-methylbenzamide
CID 170001846
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 157043932
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine
CID 170002008

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine?
The IUPAC name of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine (CID 157043478) is N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine.
What is the SMILES notation for N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine?
The canonical SMILES for N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine is Cc1ccc(Nc2ccnc3ccc(F)cc23)cc1.Nc1cc(Nc2cccc(NC=O)c2)ccn1.
What is the InChIKey of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine?
The InChIKey is KXINBQDCVSHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2.C12H12N4O/c1-11-2-5-13(6-3-11)19-16-8-9-18-15-7-4-12(17)10-14(15)16;13-12-7-11(4-5-14-12)16-10-3-1-2-9(6-10)15-8-17/h2-10H,1H3,(H,18,19);1-8H,(H,15,17)(H3,13,14,16).
What are the key properties of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine?
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine has a molecular weight of 480.55 g/mol, XLogP of 6.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine is sourced from PubChem (CID 157043478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).