1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

C20H28N6O2 — CID 136580013

IUPAC1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CC1
InChIInChI=1S/C20H28N6O2/c1-15(2)11-19(27)25-8-5-17(6-9-25)24-20(28)23-13-16-3-4-18(22-12-16)26-10-7-21-14-26/h3-4,7,10,12,14-15,17H,5-6,8-9,11,13H2,1-2H3,(H2,23,24,28)
InChIKeyQKMWMZBACVNGDD-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.10
Rot. Bonds6

About 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (PubChem CID 136580013) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
PubChem CID136580013
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CC1
InChIInChI=1S/C20H28N6O2/c1-15(2)11-19(27)25-8-5-17(6-9-25)24-20(28)23-13-16-3-4-18(22-12-16)26-10-7-21-14-26/h3-4,7,10,12,14-15,17H,5-6,8-9,11,13H2,1-2H3,(H2,23,24,28)
InChIKeyQKMWMZBACVNGDD-UHFFFAOYSA-N
XLogP2.10
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea
CID 138042257
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-heptan-2-yl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 43062127
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859690
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
2-cyclopentyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 134040291
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
CID 136519835
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 111504347
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 51080164

Frequently Asked Questions

What is the IUPAC name of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (CID 136580013) is 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is CC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CC1.
What is the InChIKey of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The InChIKey is QKMWMZBACVNGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(2)11-19(27)25-8-5-17(6-9-25)24-20(28)23-13-16-3-4-18(22-12-16)26-10-7-21-14-26/h3-4,7,10,12,14-15,17H,5-6,8-9,11,13H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea has a molecular weight of 384.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 136580013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).