N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide

C21H34N6O — CID 110049598

IUPACN,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N(C)CCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H34N6O/c1-5-11-23-21(24-17-20(28)25(2)3)26(4)14-8-18-9-15-27(16-10-18)19-6-12-22-13-7-19/h5-7,12-13,18H,1,8-11,14-17H2,2-4H3,(H,23,24)
InChIKeyYHSXJPDZZMDMPY-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.84
Rot. Bonds8

About N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide (PubChem CID 110049598) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
PubChem CID110049598
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC NameN,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N\CC(=O)N(C)C)N(C)CCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H34N6O/c1-5-11-23-21(24-17-20(28)25(2)3)26(4)14-8-18-9-15-27(16-10-18)19-6-12-22-13-7-19/h5-7,12-13,18H,1,8-11,14-17H2,2-4H3,(H,23,24)
InChIKeyYHSXJPDZZMDMPY-UHFFFAOYSA-N
XLogP1.84
TPSA64.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[butylamino-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049577
2-[[[2-(furan-2-yl)ethylamino]-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110061274
N,N-dimethyl-2-[[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111414382
N,N-dimethyl-2-[[(2-phenylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110033689
(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide
CID 99697299
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]acetamide
CID 110036143
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035653
2-[[[butyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111158477
N,N-dimethyl-2-[[[methyl-[(4-methylphenyl)methyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 111289549
2-[[[2-(4-chlorophenoxy)ethyl-methylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111308410
2-[[[hept-6-enyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043724
N,N-dimethyl-2-[[[methyl-[2-(2-methylphenoxy)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 111419471

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide (CID 110049598) is N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide is C=CCN/C(=N\CC(=O)N(C)C)N(C)CCC1CCN(c2ccncc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
The InChIKey is YHSXJPDZZMDMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-5-11-23-21(24-17-20(28)25(2)3)26(4)14-8-18-9-15-27(16-10-18)19-6-12-22-13-7-19/h5-7,12-13,18H,1,8-11,14-17H2,2-4H3,(H,23,24).
What are the key properties of N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide has a molecular weight of 386.54 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110049598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).