1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea

C14H22N4O2 — CID 36506612

IUPAC1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C14H22N4O2/c1-11(2)17-14(19)16-10-12-3-4-15-13(9-12)18-5-7-20-8-6-18/h3-4,9,11H,5-8,10H2,1-2H3,(H2,16,17,19)
InChIKeyMYLOSHTYTPNHPJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.13
Rot. Bonds4

About 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea (PubChem CID 36506612) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
PubChem CID36506612
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C14H22N4O2/c1-11(2)17-14(19)16-10-12-3-4-15-13(9-12)18-5-7-20-8-6-18/h3-4,9,11H,5-8,10H2,1-2H3,(H2,16,17,19)
InChIKeyMYLOSHTYTPNHPJ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea with MolForge

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Related Compounds

2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974773
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 71893294
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 52518727
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55697105
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317
(2R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37350981
1-(2-ethylhexyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 47025498

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea (CID 36506612) is 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea?
The InChIKey is MYLOSHTYTPNHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)17-14(19)16-10-12-3-4-15-13(9-12)18-5-7-20-8-6-18/h3-4,9,11H,5-8,10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea?
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea has a molecular weight of 278.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 36506612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).