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

C17H24N6O — CID 94172337

IUPAC1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H24N6O/c1-14(12-22-9-6-18-13-22)21-17(24)20-11-15-4-5-16(19-10-15)23-7-2-3-8-23/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyZEOCAIALEDQFRF-CQSZACIVSA-N
MW328.42 g/mol
LogP1.77
Rot. Bonds6

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

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 94172337) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID94172337
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H24N6O/c1-14(12-22-9-6-18-13-22)21-17(24)20-11-15-4-5-16(19-10-15)23-7-2-3-8-23/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyZEOCAIALEDQFRF-CQSZACIVSA-N
XLogP1.77
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94029232
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94196829
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94178624
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 51080012
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164669
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
1-heptan-2-yl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 43062127

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 94172337) is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is ZEOCAIALEDQFRF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14(12-22-9-6-18-13-22)21-17(24)20-11-15-4-5-16(19-10-15)23-7-2-3-8-23/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3,(H2,20,21,24)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 328.42 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)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 94172337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).