1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea

C18H26N6O — CID 122138801

IUPAC1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
SMILESCc1ccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-15-4-5-17(19-14-15)21-18(25)22(2)16-6-10-23(11-7-16)12-13-24-9-3-8-20-24/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21,25)
InChIKeyYCGSIVWMPULNNZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.21
Rot. Bonds5

About 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea

1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea (PubChem CID 122138801) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
PubChem CID122138801
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
SMILESCc1ccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)nc1
InChIInChI=1S/C18H26N6O/c1-15-4-5-17(19-14-15)21-18(25)22(2)16-6-10-23(11-7-16)12-13-24-9-3-8-20-24/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21,25)
InChIKeyYCGSIVWMPULNNZ-UHFFFAOYSA-N
XLogP2.21
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
CID 119903137
N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154796728
N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125014801
N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 133454251
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 124617495
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110030806
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 128965369
3-[[N-ethyl-N'-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111906356
N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
CID 122137908
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749664

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea (CID 122138801) is 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea is Cc1ccc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)nc1.
What is the InChIKey of 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
The InChIKey is YCGSIVWMPULNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-4-5-17(19-14-15)21-18(25)22(2)16-6-10-23(11-7-16)12-13-24-9-3-8-20-24/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,19,21,25).
What are the key properties of 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea?
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea has a molecular weight of 342.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 122138801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).