1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea

C16H22N4O2 — CID 94029340

IUPAC1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
SMILESC[C@@H](Cc1ccco1)NC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C16H22N4O2/c1-12(9-14-5-4-8-22-14)19-16(21)18-11-13-6-7-15(17-10-13)20(2)3/h4-8,10,12H,9,11H2,1-3H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyYDPXQIUWVYQGDD-LBPRGKRZSA-N
MW302.38 g/mol
LogP2.17
Rot. Bonds6

About 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea

1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea (PubChem CID 94029340) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
PubChem CID94029340
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
SMILESC[C@@H](Cc1ccco1)NC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C16H22N4O2/c1-12(9-14-5-4-8-22-14)19-16(21)18-11-13-6-7-15(17-10-13)20(2)3/h4-8,10,12H,9,11H2,1-3H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyYDPXQIUWVYQGDD-LBPRGKRZSA-N
XLogP2.17
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 35684633
(2S)-2-[[2-(dimethylamino)-4-pyridinyl]methylcarbamoylamino]-N-(furan-2-ylmethyl)propanamide
CID 95325845
1-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 94030410
1-[1-(furan-2-yl)propan-2-yl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 55747068
(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850304
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 75379962
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65223156
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
CID 56796180

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea (CID 94029340) is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea is C[C@@H](Cc1ccco1)NC(=O)NCc1ccc(N(C)C)nc1.
What is the InChIKey of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea?
The InChIKey is YDPXQIUWVYQGDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(9-14-5-4-8-22-14)19-16(21)18-11-13-6-7-15(17-10-13)20(2)3/h4-8,10,12H,9,11H2,1-3H3,(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea?
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea is sourced from PubChem (CID 94029340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).