1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea

C17H21N5O2 — CID 94030778

IUPAC1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
SMILESC[C@H]1CN(c2ccc(CNC(=O)Nc3cccnc3)cn2)CCO1
InChIInChI=1S/C17H21N5O2/c1-13-12-22(7-8-24-13)16-5-4-14(9-19-16)10-20-17(23)21-15-3-2-6-18-11-15/h2-6,9,11,13H,7-8,10,12H2,1H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyNRNAVFNFURIQHW-ZDUSSCGKSA-N
MW327.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea

1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea (PubChem CID 94030778) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
PubChem CID94030778
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
SMILESC[C@H]1CN(c2ccc(CNC(=O)Nc3cccnc3)cn2)CCO1
InChIInChI=1S/C17H21N5O2/c1-13-12-22(7-8-24-13)16-5-4-14(9-19-16)10-20-17(23)21-15-3-2-6-18-11-15/h2-6,9,11,13H,7-8,10,12H2,1H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyNRNAVFNFURIQHW-ZDUSSCGKSA-N
XLogP2.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94075682
1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 51084320
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55746766
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea (CID 94030778) is 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea is C[C@H]1CN(c2ccc(CNC(=O)Nc3cccnc3)cn2)CCO1.
What is the InChIKey of 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea?
The InChIKey is NRNAVFNFURIQHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-12-22(7-8-24-13)16-5-4-14(9-19-16)10-20-17(23)21-15-3-2-6-18-11-15/h2-6,9,11,13H,7-8,10,12H2,1H3,(H2,20,21,23)/t13-/m0/s1.
What are the key properties of 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea?
1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea has a molecular weight of 327.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 94030778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).