(1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea

C24H28N6O2 — CID 177143908

IUPAC(1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea
SMILESCc1cc(C)nc(CN2CCCC(/C(N)=N/C(=O)Nc3cccc4ccc(=O)[nH]c34)C2)c1
InChIInChI=1S/C24H28N6O2/c1-15-11-16(2)26-19(12-15)14-30-10-4-6-18(13-30)23(25)29-24(32)27-20-7-3-5-17-8-9-21(31)28-22(17)20/h3,5,7-9,11-12,18H,4,6,10,13-14H2,1-2H3,(H,28,31)(H3,25,27,29,32)
InChIKeyBPZJDBIWGCBJQA-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.34
Rot. Bonds4

About (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea

(1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea (PubChem CID 177143908) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea.

Molecular Properties

Compound Name(1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea
PubChem CID177143908
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name(1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea
SMILESCc1cc(C)nc(CN2CCCC(/C(N)=N/C(=O)Nc3cccc4ccc(=O)[nH]c34)C2)c1
InChIInChI=1S/C24H28N6O2/c1-15-11-16(2)26-19(12-15)14-30-10-4-6-18(13-30)23(25)29-24(32)27-20-7-3-5-17-8-9-21(31)28-22(17)20/h3,5,7-9,11-12,18H,4,6,10,13-14H2,1-2H3,(H,28,31)(H3,25,27,29,32)
InChIKeyBPZJDBIWGCBJQA-UHFFFAOYSA-N
XLogP3.34
TPSA116.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[amino-[1-[2-(4,6-dimethyl-2-pyridinyl)ethyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea
CID 177143555
(1Z)-1-[amino-[1-[2-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea
CID 177143532
(1Z)-1-[amino-[1-(isoquinolin-5-ylmethyl)piperidin-3-yl]methylidene]-3-isoquinolin-5-ylurea
CID 177143678
1-[amino-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methylidene]-3-isoquinolin-5-ylurea
CID 177143462
(1Z)-1-[amino-[1-(2-naphthalen-2-ylethyl)piperidin-3-yl]methylidene]-3-isoquinolin-5-ylurea
CID 177143380
(1Z)-1-[amino-[1-(3-ethylhexyl)piperidin-3-yl]methylidene]-3-phthalazin-5-ylurea
CID 177143596
N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167809419
(1Z)-1-[amino-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methylidene]-3-(4-methoxyphenyl)urea
CID 177143776
(1Z)-1-[amino-[1-[2-(3-imidazol-1-ylphenyl)ethyl]piperidin-3-yl]methylidene]-3-isoquinolin-5-ylurea
CID 177143467
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
CID 80656948

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea?
The IUPAC name of (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea (CID 177143908) is (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea.
What is the SMILES notation for (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea?
The canonical SMILES for (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea is Cc1cc(C)nc(CN2CCCC(/C(N)=N/C(=O)Nc3cccc4ccc(=O)[nH]c34)C2)c1.
What is the InChIKey of (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea?
The InChIKey is BPZJDBIWGCBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15-11-16(2)26-19(12-15)14-30-10-4-6-18(13-30)23(25)29-24(32)27-20-7-3-5-17-8-9-21(31)28-22(17)20/h3,5,7-9,11-12,18H,4,6,10,13-14H2,1-2H3,(H,28,31)(H3,25,27,29,32).
What are the key properties of (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea?
(1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea has a molecular weight of 432.53 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[amino-[1-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methylidene]-3-(2-oxo-1H-quinolin-8-yl)urea is sourced from PubChem (CID 177143908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).