N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide

C25H24FN5O2 — CID 142580336

IUPACN-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide
SMILESCc1cc(C(=O)N2CCCc3cc(C4(C(=O)Nc5ccc(F)cn5)CCC4)ccc32)ncn1
InChIInChI=1S/C25H24FN5O2/c1-16-12-20(29-15-28-16)23(32)31-11-2-4-17-13-18(5-7-21(17)31)25(9-3-10-25)24(33)30-22-8-6-19(26)14-27-22/h5-8,12-15H,2-4,9-11H2,1H3,(H,27,30,33)
InChIKeyLKVYRZVUQKUIDB-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.97
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide

N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide (PubChem CID 142580336) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide
PubChem CID142580336
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide
SMILESCc1cc(C(=O)N2CCCc3cc(C4(C(=O)Nc5ccc(F)cn5)CCC4)ccc32)ncn1
InChIInChI=1S/C25H24FN5O2/c1-16-12-20(29-15-28-16)23(32)31-11-2-4-17-13-18(5-7-21(17)31)25(9-3-10-25)24(33)30-22-8-6-19(26)14-27-22/h5-8,12-15H,2-4,9-11H2,1H3,(H,27,30,33)
InChIKeyLKVYRZVUQKUIDB-UHFFFAOYSA-N
XLogP3.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide
CID 142580499
N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
CID 142580555
1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302
6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide
CID 142580511
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145
N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide
CID 138609165
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide (CID 142580336) is N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide is Cc1cc(C(=O)N2CCCc3cc(C4(C(=O)Nc5ccc(F)cn5)CCC4)ccc32)ncn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide?
The InChIKey is LKVYRZVUQKUIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-12-20(29-15-28-16)23(32)31-11-2-4-17-13-18(5-7-21(17)31)25(9-3-10-25)24(33)30-22-8-6-19(26)14-27-22/h5-8,12-15H,2-4,9-11H2,1H3,(H,27,30,33).
What are the key properties of N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide?
N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 142580336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).