1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea

C19H23N5O3 — CID 133396975

IUPAC1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
SMILESCc1cc(N2CCCCC2CNC(=O)Nc2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C19H23N5O3/c1-14-11-18(20-13-17(14)24(26)27)23-10-6-5-9-16(23)12-21-19(25)22-15-7-3-2-4-8-15/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H2,21,22,25)
InChIKeyWLKCDUINUATOHW-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.48
Rot. Bonds5

About 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea

1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea (PubChem CID 133396975) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
PubChem CID133396975
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
SMILESCc1cc(N2CCCCC2CNC(=O)Nc2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C19H23N5O3/c1-14-11-18(20-13-17(14)24(26)27)23-10-6-5-9-16(23)12-21-19(25)22-15-7-3-2-4-8-15/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H2,21,22,25)
InChIKeyWLKCDUINUATOHW-UHFFFAOYSA-N
XLogP3.48
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea 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-[[1-(5-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397048
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea
CID 133397025
1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397011
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 83271828
[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 75482703
ethyl 1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79176555
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
1-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3-(4-nitrophenyl)urea
CID 51961769
[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103353516

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea (CID 133396975) is 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea is Cc1cc(N2CCCCC2CNC(=O)Nc2ccccc2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea?
The InChIKey is WLKCDUINUATOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14-11-18(20-13-17(14)24(26)27)23-10-6-5-9-16(23)12-21-19(25)22-15-7-3-2-4-8-15/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea?
1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea has a molecular weight of 369.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 133396975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).