1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea

C19H32N4O — CID 125439942

IUPAC1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)N(C)CCCN2CCCCCC2)cn1
InChIInChI=1S/C19H32N4O/c1-16-9-10-18(15-20-16)17(2)21-19(24)22(3)11-8-14-23-12-6-4-5-7-13-23/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyGJJFDCDDQWZIEI-KRWDZBQOSA-N
MW332.49 g/mol
LogP3.36
Rot. Bonds6

About 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea

1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea (PubChem CID 125439942) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea
PubChem CID125439942
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)N(C)CCCN2CCCCCC2)cn1
InChIInChI=1S/C19H32N4O/c1-16-9-10-18(15-20-16)17(2)21-19(24)22(3)11-8-14-23-12-6-4-5-7-13-23/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyGJJFDCDDQWZIEI-KRWDZBQOSA-N
XLogP3.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea with MolForge

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Related Compounds

3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
CID 124755036
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-2-azaspiro[4.6]undecane-2-carboxamide
CID 126427038
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 122570318
3-[(2R)-2-cyanopropyl]-1-methyl-1-(3-pyrrolidin-1-ylpropyl)urea
CID 100686969
1-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-[1-(6-methyl-3-pyridinyl)ethyl]urea
CID 121494770
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
CID 126436882
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
1-[3-(2,4-dimethylphenoxy)propyl]-1-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 122562465

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea?
The IUPAC name of 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea (CID 125439942) is 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea is Cc1ccc([C@H](C)NC(=O)N(C)CCCN2CCCCCC2)cn1.
What is the InChIKey of 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea?
The InChIKey is GJJFDCDDQWZIEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N4O/c1-16-9-10-18(15-20-16)17(2)21-19(24)22(3)11-8-14-23-12-6-4-5-7-13-23/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea?
1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea has a molecular weight of 332.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)propyl]-1-methyl-3-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]urea is sourced from PubChem (CID 125439942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).