1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

C18H29N5O2 — CID 94146430

IUPAC1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESC[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)CN1CCCC1
InChIInChI=1S/C18H29N5O2/c1-15(14-22-6-2-3-7-22)12-20-18(24)21-16-4-5-17(19-13-16)23-8-10-25-11-9-23/h4-5,13,15H,2-3,6-12,14H2,1H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyNIYVFXGEWGSJJY-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.77
Rot. Bonds6

About 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 94146430) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID94146430
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESC[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)CN1CCCC1
InChIInChI=1S/C18H29N5O2/c1-15(14-22-6-2-3-7-22)12-20-18(24)21-16-4-5-17(19-13-16)23-8-10-25-11-9-23/h4-5,13,15H,2-3,6-12,14H2,1H3,(H2,20,21,24)/t15-/m1/s1
InChIKeyNIYVFXGEWGSJJY-OAHLLOKOSA-N
XLogP1.77
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740490
1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 51078466
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
1-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95772331

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 94146430) is 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is C[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)CN1CCCC1.
What is the InChIKey of 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is NIYVFXGEWGSJJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-15(14-22-6-2-3-7-22)12-20-18(24)21-16-4-5-17(19-13-16)23-8-10-25-11-9-23/h4-5,13,15H,2-3,6-12,14H2,1H3,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 347.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 94146430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).