CID 159420152

C20H19F2N5O3S — CID 159420152

IUPAC—
SMILESCc1cccc(Nc2cc(NCc3cc(F)cc(F)c3)c(C(N)=O)cn2)c1.N=S(=O)=O
InChIInChI=1S/C20H18F2N4O.HNO2S/c1-12-3-2-4-16(5-12)26-19-9-18(17(11-25-19)20(23)27)24-10-13-6-14(21)8-15(22)7-13;1-4(2)3/h2-9,11H,10H2,1H3,(H2,23,27)(H2,24,25,26);1H
InChIKeyLPQXXXXSEBTGGP-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.75
Rot. Bonds6

About CID 159420152

CID 159420152 (PubChem CID 159420152) has the molecular formula C20H19F2N5O3S and a molecular weight of 447.47 g/mol.

Molecular Properties

Compound NameCID 159420152
PubChem CID159420152
Molecular FormulaC20H19F2N5O3S
Molecular Weight447.47 g/mol
Exact Mass447.12
IUPAC Name—
SMILESCc1cccc(Nc2cc(NCc3cc(F)cc(F)c3)c(C(N)=O)cn2)c1.N=S(=O)=O
InChIInChI=1S/C20H18F2N4O.HNO2S/c1-12-3-2-4-16(5-12)26-19-9-18(17(11-25-19)20(23)27)24-10-13-6-14(21)8-15(22)7-13;1-4(2)3/h2-9,11H,10H2,1H3,(H2,23,27)(H2,24,25,26);1H
InChIKeyLPQXXXXSEBTGGP-UHFFFAOYSA-N
XLogP3.75
TPSA138.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966
6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 67500823
4-[(3,5-difluorophenyl)methylamino]-6-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]anilino]pyridine-3-carboxamide
CID 87394604
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450483
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
6-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67422918
6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 89012362
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propan-2-ylsulfanyl-1,4-diazepan-4-ium-1-yl)anilino]pyridine-3-carboxamide
CID 163860939
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 67502997
6-(2-chloro-4-morpholin-4-ylanilino)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450660

Frequently Asked Questions

What is the IUPAC name of CID 159420152?
The IUPAC name of CID 159420152 (CID 159420152) is not available.
What is the SMILES notation for CID 159420152?
The canonical SMILES for CID 159420152 is Cc1cccc(Nc2cc(NCc3cc(F)cc(F)c3)c(C(N)=O)cn2)c1.N=S(=O)=O.
What is the InChIKey of CID 159420152?
The InChIKey is LPQXXXXSEBTGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O.HNO2S/c1-12-3-2-4-16(5-12)26-19-9-18(17(11-25-19)20(23)27)24-10-13-6-14(21)8-15(22)7-13;1-4(2)3/h2-9,11H,10H2,1H3,(H2,23,27)(H2,24,25,26);1H.
What are the key properties of CID 159420152?
CID 159420152 has a molecular weight of 447.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159420152 is sourced from PubChem (CID 159420152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).