1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea

C19H24N6O2 — CID 40532971

IUPAC1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea
SMILESCC1(C)[C@H](CNC(=O)Nc2ccncc2)C[C@H]1NC(=O)Nc1ccncc1
InChIInChI=1S/C19H24N6O2/c1-19(2)13(12-22-17(26)23-14-3-7-20-8-4-14)11-16(19)25-18(27)24-15-5-9-21-10-6-15/h3-10,13,16H,11-12H2,1-2H3,(H2,20,22,23,26)(H2,21,24,25,27)/t13-,16+/m0/s1
InChIKeyVPDBBNLMZUMMRU-XJKSGUPXSA-N
MW368.44 g/mol
LogP2.83
Rot. Bonds5

About 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea

1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea (PubChem CID 40532971) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea
PubChem CID40532971
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea
SMILESCC1(C)[C@H](CNC(=O)Nc2ccncc2)C[C@H]1NC(=O)Nc1ccncc1
InChIInChI=1S/C19H24N6O2/c1-19(2)13(12-22-17(26)23-14-3-7-20-8-4-14)11-16(19)25-18(27)24-15-5-9-21-10-6-15/h3-10,13,16H,11-12H2,1-2H3,(H2,20,22,23,26)(H2,21,24,25,27)/t13-,16+/m0/s1
InChIKeyVPDBBNLMZUMMRU-XJKSGUPXSA-N
XLogP2.83
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-3-[[3-[(3,5-dimethylphenyl)carbamoylamino]-2,2-dimethylcyclobutyl]methyl]urea
CID 170908254
1-[[2,2-dimethyl-3-(2,3,4,5-tetrahydropyridin-6-ylcarbamoylamino)cyclobutyl]methyl]-3-(2,3,4,5-tetrahydropyridin-6-yl)urea
CID 170908255
1-[[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]methyl]-3-(4-iodophenyl)urea
CID 40538203
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995675
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea
CID 51108571
1-(2-iodophenyl)-3-[[3-[[(2-iodophenyl)carbamoylamino]methyl]-2,2-dimethylcyclobutyl]methyl]urea
CID 170908270
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea (CID 40532971) is 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea is CC1(C)[C@H](CNC(=O)Nc2ccncc2)C[C@H]1NC(=O)Nc1ccncc1.
What is the InChIKey of 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea?
The InChIKey is VPDBBNLMZUMMRU-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2)13(12-22-17(26)23-14-3-7-20-8-4-14)11-16(19)25-18(27)24-15-5-9-21-10-6-15/h3-10,13,16H,11-12H2,1-2H3,(H2,20,22,23,26)(H2,21,24,25,27)/t13-,16+/m0/s1.
What are the key properties of 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea?
1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea has a molecular weight of 368.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3R)-2,2-dimethyl-3-(pyridin-4-ylcarbamoylamino)cyclobutyl]methyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 40532971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).