1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea

C24H27N5O2 — CID 51957434

IUPAC1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESCN(C(=O)NCc1ccc(N2CCOCC2)nc1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C24H27N5O2/c1-28(23(20-7-3-2-4-8-20)21-9-5-6-12-25-21)24(30)27-18-19-10-11-22(26-17-19)29-13-15-31-16-14-29/h2-12,17,23H,13-16,18H2,1H3,(H,27,30)/t23-/m0/s1
InChIKeyNBTFDWZKHTYPNY-QHCPKHFHSA-N
MW417.51 g/mol
LogP3.24
Rot. Bonds6

About 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea

1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea (PubChem CID 51957434) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
PubChem CID51957434
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESCN(C(=O)NCc1ccc(N2CCOCC2)nc1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C24H27N5O2/c1-28(23(20-7-3-2-4-8-20)21-9-5-6-12-25-21)24(30)27-18-19-10-11-22(26-17-19)29-13-15-31-16-14-29/h2-12,17,23H,13-16,18H2,1H3,(H,27,30)/t23-/m0/s1
InChIKeyNBTFDWZKHTYPNY-QHCPKHFHSA-N
XLogP3.24
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea with MolForge

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Related Compounds

3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42962719
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
1-[2-(dimethylamino)-2-phenylethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55739594
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
1-ethyl-1-(furan-2-ylmethyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 38285701
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea (CID 51957434) is 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea is CN(C(=O)NCc1ccc(N2CCOCC2)nc1)[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is NBTFDWZKHTYPNY-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28(23(20-7-3-2-4-8-20)21-9-5-6-12-25-21)24(30)27-18-19-10-11-22(26-17-19)29-13-15-31-16-14-29/h2-12,17,23H,13-16,18H2,1H3,(H,27,30)/t23-/m0/s1.
What are the key properties of 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea?
1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea has a molecular weight of 417.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-[(S)-phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 51957434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).