[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea

C13H16Cl2N4O2 — CID 106993329

IUPAC[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C13H16Cl2N4O2/c14-10-4-3-9(11(15)18-10)12(20)19-5-1-2-8(7-19)6-17-13(16)21/h3-4,8H,1-2,5-7H2,(H3,16,17,21)
InChIKeyQADZDZSQEFFDMM-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.91
Rot. Bonds3

About [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea

[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea (PubChem CID 106993329) has the molecular formula C13H16Cl2N4O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
PubChem CID106993329
Molecular FormulaC13H16Cl2N4O2
Molecular Weight331.20 g/mol
Exact Mass330.07
IUPAC Name[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C13H16Cl2N4O2/c14-10-4-3-9(11(15)18-10)12(20)19-5-1-2-8(7-19)6-17-13(16)21/h3-4,8H,1-2,5-7H2,(H3,16,17,21)
InChIKeyQADZDZSQEFFDMM-UHFFFAOYSA-N
XLogP1.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109976
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
[1-(2-bromo-5-methylbenzoyl)piperidin-3-yl]methylurea
CID 80973642
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 63978957
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314
[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methylurea
CID 66388331

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea (CID 106993329) is [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2ccc(Cl)nc2Cl)C1.
What is the InChIKey of [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea?
The InChIKey is QADZDZSQEFFDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O2/c14-10-4-3-9(11(15)18-10)12(20)19-5-1-2-8(7-19)6-17-13(16)21/h3-4,8H,1-2,5-7H2,(H3,16,17,21).
What are the key properties of [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea?
[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea has a molecular weight of 331.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 106993329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).