5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile

C25H26N6O — CID 66716620

IUPAC5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile
SMILESCN1CCC(N(C)c2c(C(=O)C3CC3)cnc3ccc(-c4cnc(C#N)nc4)cc23)CC1
InChIInChI=1S/C25H26N6O/c1-30-9-7-19(8-10-30)31(2)24-20-11-17(18-13-28-23(12-26)29-14-18)5-6-22(20)27-15-21(24)25(32)16-3-4-16/h5-6,11,13-16,19H,3-4,7-10H2,1-2H3
InChIKeyKINRFUZSBXMTRU-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.69
Rot. Bonds5

About 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile

5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile (PubChem CID 66716620) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile
PubChem CID66716620
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile
SMILESCN1CCC(N(C)c2c(C(=O)C3CC3)cnc3ccc(-c4cnc(C#N)nc4)cc23)CC1
InChIInChI=1S/C25H26N6O/c1-30-9-7-19(8-10-30)31(2)24-20-11-17(18-13-28-23(12-26)29-14-18)5-6-22(20)27-15-21(24)25(32)16-3-4-16/h5-6,11,13-16,19H,3-4,7-10H2,1-2H3
InChIKeyKINRFUZSBXMTRU-UHFFFAOYSA-N
XLogP3.69
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile with MolForge

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Related Compounds

[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone
CID 123770582
3-O-ethyl 6-O-methyl 4-[methyl-(1-methylpiperidin-4-yl)amino]quinoline-3,6-dicarboxylate
CID 23987403
6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine
CID 135170022
3-chloro-5-[3-(cyclopropanecarbonyl)-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-6-yl]-2-hydroxybenzaldehyde
CID 118671351
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone
CID 136927299
5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 113320538
6-(difluoromethoxy)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 133288080
2,4-bis[4-[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]piperazin-1-yl]-1,5-bis(dimethylamino)pentan-3-one
CID 175280451
6-(3H-benzimidazol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 173470267
N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide
CID 145305825
5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 114919110
2-cyclopropyl-6-(4-hydroxy-3-methoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinoline-3-carbaldehyde
CID 87121101

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile (CID 66716620) is 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile is CN1CCC(N(C)c2c(C(=O)C3CC3)cnc3ccc(-c4cnc(C#N)nc4)cc23)CC1.
What is the InChIKey of 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile?
The InChIKey is KINRFUZSBXMTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-30-9-7-19(8-10-30)31(2)24-20-11-17(18-13-28-23(12-26)29-14-18)5-6-22(20)27-15-21(24)25(32)16-3-4-16/h5-6,11,13-16,19H,3-4,7-10H2,1-2H3.
What are the key properties of 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile?
5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile has a molecular weight of 426.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 66716620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).