N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide

C25H27N5O — CID 58432913

IUPACN-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(C(=O)NCC3CC3)cc2)n1
InChIInChI=1S/C25H27N5O/c1-17-4-11-22-20(15-17)3-2-14-30(22)23-12-13-26-25(29-23)28-21-9-7-19(8-10-21)24(31)27-16-18-5-6-18/h4,7-13,15,18H,2-3,5-6,14,16H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyYYPFAQMGKXGPMZ-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.75
Rot. Bonds6

About N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide

N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide (PubChem CID 58432913) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide
PubChem CID58432913
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(C(=O)NCC3CC3)cc2)n1
InChIInChI=1S/C25H27N5O/c1-17-4-11-22-20(15-17)3-2-14-30(22)23-12-13-26-25(29-23)28-21-9-7-19(8-10-21)24(31)27-16-18-5-6-18/h4,7-13,15,18H,2-3,5-6,14,16H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyYYPFAQMGKXGPMZ-UHFFFAOYSA-N
XLogP4.75
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide (CID 58432913) is N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide is Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(C(=O)NCC3CC3)cc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is YYPFAQMGKXGPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-17-4-11-22-20(15-17)3-2-14-30(22)23-12-13-26-25(29-23)28-21-9-7-19(8-10-21)24(31)27-16-18-5-6-18/h4,7-13,15,18H,2-3,5-6,14,16H2,1H3,(H,27,31)(H,26,28,29).
What are the key properties of N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide?
N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 413.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 58432913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).