N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide

C27H37N5O2 — CID 23568731

IUPACN-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide
SMILESCCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C27H37N5O2/c1-5-10-22-17-25(31-24(15-19(3)4)27(33)28-13-9-14-34-6-2)32-26(30-22)21-16-20-11-7-8-12-23(20)29-18-21/h7-8,11-12,16-19,24H,5-6,9-10,13-15H2,1-4H3,(H,28,33)(H,30,31,32)
InChIKeyHDXPTLTXODLDRS-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.01
Rot. Bonds13

About N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide

N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide (PubChem CID 23568731) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide
PubChem CID23568731
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC NameN-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide
SMILESCCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C27H37N5O2/c1-5-10-22-17-25(31-24(15-19(3)4)27(33)28-13-9-14-34-6-2)32-26(30-22)21-16-20-11-7-8-12-23(20)29-18-21/h7-8,11-12,16-19,24H,5-6,9-10,13-15H2,1-4H3,(H,28,33)(H,30,31,32)
InChIKeyHDXPTLTXODLDRS-UHFFFAOYSA-N
XLogP5.01
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-chloro-6-(3-trimethylsilylpropyl)pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
CID 58630542
N-[2-(3-ethoxypropylamino)-2-oxoethyl]-4-quinolin-3-ylbenzamide
CID 134798872
N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
CID 23568629
2-[[2-[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]-6-propylpyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 22170056
3-(3-ethoxypropyl)quinoline
CID 91801315
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 115914717
(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 38958525
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
CID 35292228
N-(3-methoxypropyl)-2-quinolin-3-yloxyacetamide
CID 110488006
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067
4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide (CID 23568731) is N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide is CCCc1cc(NC(CC(C)C)C(=O)NCCCOCC)nc(-c2cnc3ccccc3c2)n1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide?
The InChIKey is HDXPTLTXODLDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-5-10-22-17-25(31-24(15-19(3)4)27(33)28-13-9-14-34-6-2)32-26(30-22)21-16-20-11-7-8-12-23(20)29-18-21/h7-8,11-12,16-19,24H,5-6,9-10,13-15H2,1-4H3,(H,28,33)(H,30,31,32).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide?
N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide has a molecular weight of 463.63 g/mol, XLogP of 5.01, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 23568731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).