1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea

C14H22N4O2 — CID 94102902

IUPAC1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESCc1cccnc1NC(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C14H22N4O2/c1-11-4-3-5-15-13(11)17-14(19)16-12(2)10-18-6-8-20-9-7-18/h3-5,12H,6-10H2,1-2H3,(H2,15,16,17,19)/t12-/m0/s1
InChIKeyYNMRVEFZZGGJMS-LBPRGKRZSA-N
MW278.36 g/mol
LogP1.23
Rot. Bonds4

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

1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (PubChem CID 94102902) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
PubChem CID94102902
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESCc1cccnc1NC(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C14H22N4O2/c1-11-4-3-5-15-13(11)17-14(19)16-12(2)10-18-6-8-20-9-7-18/h3-5,12H,6-10H2,1-2H3,(H2,15,16,17,19)/t12-/m0/s1
InChIKeyYNMRVEFZZGGJMS-LBPRGKRZSA-N
XLogP1.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 3411498
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 94154168
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-morpholin-4-ylpropan-2-yl]urea
CID 94029349
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
CID 97073055
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
3-iodo-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 75373063
1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51080589
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
1-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94078542

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (CID 94102902) is 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is Cc1cccnc1NC(=O)N[C@@H](C)CN1CCOCC1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The InChIKey is YNMRVEFZZGGJMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-4-3-5-15-13(11)17-14(19)16-12(2)10-18-6-8-20-9-7-18/h3-5,12H,6-10H2,1-2H3,(H2,15,16,17,19)/t12-/m0/s1.
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea has a molecular weight of 278.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is sourced from PubChem (CID 94102902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).