1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C16H26N4O2 — CID 100661667

IUPAC1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCO[C@H](C)CNC(=O)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C16H26N4O2/c1-12-6-7-14(15(19-12)20-8-4-5-9-20)11-18-16(21)17-10-13(2)22-3/h6-7,13H,4-5,8-11H2,1-3H3,(H2,17,18,21)/t13-/m1/s1
InChIKeySSLAMPUAJLIIPD-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.82
Rot. Bonds6

About 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 100661667) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID100661667
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCO[C@H](C)CNC(=O)NCc1ccc(C)nc1N1CCCC1
InChIInChI=1S/C16H26N4O2/c1-12-6-7-14(15(19-12)20-8-4-5-9-20)11-18-16(21)17-10-13(2)22-3/h6-7,13H,4-5,8-11H2,1-3H3,(H2,17,18,21)/t13-/m1/s1
InChIKeySSLAMPUAJLIIPD-CYBMUJFWSA-N
XLogP1.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(3-ethyl-2-hydroxypentyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028347
2-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 110028330
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028346
1-(2-hydroxypropyl)-1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 84599317
3-(1-hydroxyethyl)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 110028358
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028362
1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 86786119
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylurea
CID 110028376
2-fluoro-4-hydroxy-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 86786371
2-[(3,4-dimethoxyphenyl)methyl]-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026821
1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-[(3S)-thiolan-3-yl]urea
CID 97348072
4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 139001184

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 100661667) is 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is CO[C@H](C)CNC(=O)NCc1ccc(C)nc1N1CCCC1.
What is the InChIKey of 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is SSLAMPUAJLIIPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-6-7-14(15(19-12)20-8-4-5-9-20)11-18-16(21)17-10-13(2)22-3/h6-7,13H,4-5,8-11H2,1-3H3,(H2,17,18,21)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methoxypropyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 100661667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).